UCSF

ZINC43411189

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) 0.68 5.38 -31.38 2 4 1 37 242.387 7
Hi High (pH 8-9.5) 0.68 4.57 -39.02 2 4 1 40 242.387 7
Lo Low (pH 4.5-6) 0.68 6.62 -110.81 3 4 2 41 243.395 7

Activity (Go SEA)

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