UCSF

ZINC06782112

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 20 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) 2.42 5.87 -10.85 2 5 0 71 294.355 5
Mid Mid (pH 6-8) 2.42 5.93 -13.11 2 5 0 71 294.355 5

Activity (Go SEA)

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