UCSF

ZINC06265806

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 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) 1.54 6.18 -9.2 1 6 0 73 270.292 2
Mid Mid (pH 6-8) 1.54 6.65 -34.43 2 6 1 74 271.3 2

Activity (Go SEA)

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