UCSF

ZINC00762977

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 30 No

Popular Name: 1-isopropylamino-3-(phenylBLAHyl)-propan-2-ol 1-isopropylamino-3-(phenylBLAHyl…

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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) 3.75 10.73 -48.89 3 5 1 60 401.534 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA5-1-E Coagulation Factor V (cluster #1 Of 2), Eukaryotic Eukaryotes 3800 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA5_HUMAN P12259 Coagulation Factor V, Human 3800 0.25 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Common Pathway
Platelet degranulation

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

No pre-computed analogs available. Try a structural similarity search.