UCSF

ZINC37042657

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) -0.34 2.39 -53.72 4 6 1 86 286.396 6
Mid Mid (pH 6-8) -0.34 2.11 -15.44 3 6 0 85 285.388 6

Activity (Go SEA)

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