UCSF

ZINC31163861

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2009 16 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) 0.91 1.18 -46.31 1 5 -1 83 225.22 0
Mid Mid (pH 6-8) 0.91 0.53 -19.87 2 5 0 80 226.228 0

Activity (Go SEA)

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