UCSF

ZINC38221947

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 17 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) -0.22 4.4 -49.12 3 4 1 63 242.27 6
Mid Mid (pH 6-8) -0.22 4.06 -8.32 2 4 0 62 241.262 6

Activity (Go SEA)

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