UCSF

ZINC42459857

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 0.88 3.57 -79.3 5 4 2 59 228.384 7
Mid Mid (pH 6-8) 0.88 5.73 -179.96 6 4 3 60 229.392 7

Activity (Go SEA)

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