UCSF

ZINC69231714

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 21 Yes

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) -0.02 9.32 -69.95 3 4 1 61 289.399 6
Hi High (pH 8-9.5) -0.02 9.32 -39.29 2 4 0 57 288.391 6
Mid Mid (pH 6-8) -0.02 8.43 -27.19 2 4 0 60 288.391 6

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

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