UCSF

ZINC01530622

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 19 Yes

Popular Name: Dorzolamide Dorzolamide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 120279-96-1 , 120280-13-9 , 130693-82-2 , [120280-13-9]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.18 -2.34 -68.71 4 6 1 111 325.457 3 ↓
Hi High (pH 8-9.5) -0.18 -3.07 -48.79 2 6 -1 104 323.441 3 ↓
Mid Mid (pH 6-8) -0.18 -1.86 -75.98 3 6 0 108 324.449 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH2-1-E Carbonic Anhydrase II (cluster #1 Of 15), Eukaryotic Eukaryotes 30 0.55 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 15.3 0.58 Binding ≤ 1μM
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 15.3 0.58 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Erythrocytes take up carbon dioxide and release oxygen
Erythrocytes take up oxygen and release carbon dioxide
Reversible hydration of carbon dioxide

Analogs ( Draw Identity 99% 90% 80% 70% )