UCSF

ZINC03821210

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 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) 2.21 0.47 -9.16 2 2 0 38 226.254 0
Mid Mid (pH 6-8) 2.21 0.52 -28.96 3 2 1 40 227.262 0

Activity (Go SEA)

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