UCSF

ZINC41229003

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 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) 1.63 7.07 -35.19 2 3 1 39 217.292 3
Mid Mid (pH 6-8) 1.63 6.56 -8.85 1 3 0 38 216.284 3

Activity (Go SEA)

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