UCSF

ZINC36338548

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 21 No

Popular Name: DNC006470 DNC006470

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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) 2.04 4.97 -17.61 3 6 0 79 282.303 3 ↓
Lo Low (pH 4.5-6) 2.04 5.45 -44.03 4 6 1 80 283.311 3 ↓
Lo Low (pH 4.5-6) 1.41 5.06 -52.67 3 6 1 77 283.311 3 ↓
Lo Low (pH 4.5-6) 1.41 5.06 -52.08 3 6 1 77 283.311 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IMDH2-2-E Inosine-5'-monophosphate Dehydrogenase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 1110 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
IMDH2_HUMAN P12268 Inosine-5'-monophosphate Dehydrogenase 2, Human 1110 0.40 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine ribonucleoside monophosphate biosynthesis

Rings

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

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