UCSF

ZINC61819151

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 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) 1.09 4.48 -49.87 2 4 1 40 226.344 0
Mid Mid (pH 6-8) 1.09 3.15 -8.51 1 4 0 36 225.336 0

Activity (Go SEA)

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