UCSF

ZINC95635870

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2014 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) -3.16 0.71 -76.74 8 6 1 131 189.239 6
Hi High (pH 8-9.5) -3.16 0.4 -61.78 7 6 0 130 188.231 6

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

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