UCSF

ZINC42781695

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 15 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) 2.93 3.35 -39.28 3 2 1 31 227.294 7
Lo Low (pH 4.5-6) 2.93 5.71 -118.32 4 2 2 32 228.302 7

Activity (Go SEA)

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