UCSF

ZINC44712947

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 11 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) 0.75 1.78 -7.05 1 3 0 42 148.165 0
Ref Reference (pH 7) 1.14 1.81 -19.25 2 3 0 49 148.165 0
Mid Mid (pH 6-8) 1.59 0.46 -45.44 1 3 -1 52 147.157 0

Activity (Go SEA)

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