UCSF

ZINC13207466

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 0.71 5.95 -15.13 2 5 0 62 242.282 2
Mid Mid (pH 6-8) 0.71 6.42 -31.99 3 5 1 64 243.29 2

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

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