UCSF

ZINC45008370

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 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) 2.84 6.35 -5.36 0 3 0 30 241.718 5
Mid Mid (pH 6-8) 2.84 8.35 -38.75 1 3 1 31 242.726 5

Activity (Go SEA)

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