UCSF

ZINC49393780

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 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) 0.44 1.72 -8.94 0 5 0 54 267.354 3
Mid Mid (pH 6-8) 0.44 3.91 -43.42 1 5 1 55 268.362 3

Activity (Go SEA)

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