UCSF

ZINC43387487

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) -0.84 -1.46 -46.23 4 5 1 87 242.205 3
Mid Mid (pH 6-8) -0.84 -1.85 -5.77 3 5 0 85 241.197 3

Activity (Go SEA)

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