UCSF

ZINC42778564

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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) 0.08 4.34 -8.98 2 3 0 46 260.259 5
Mid Mid (pH 6-8) 0.08 4.67 -44.72 3 3 1 48 261.267 5

Activity (Go SEA)

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