UCSF

ZINC44511000

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 0.45 4.9 -102.88 4 3 2 42 214.353 8
Hi High (pH 8-9.5) 0.45 3.6 -38.42 3 3 1 38 213.345 8
Hi High (pH 8-9.5) 0.45 3.55 -35.17 3 3 1 38 213.345 8

Activity (Go SEA)

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