UCSF

ZINC45000860

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 28 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) 3.17 10.59 -51.05 2 6 1 55 384.5 7
Mid Mid (pH 6-8) 3.17 8.22 -9.81 1 6 0 54 383.492 7

Activity (Go SEA)

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