UCSF

ZINC44712895

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) 0.31 1.2 -57.54 3 5 -1 95 176.155 1
Mid Mid (pH 6-8) 0.31 1.57 -31.6 4 5 0 96 177.163 1

Activity (Go SEA)

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