UCSF

ZINC42608257

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 4.10 9.12 -52.14 0 3 -1 43 246.33 3
Lo Low (pH 4.5-6) 4.10 9.6 -60.9 1 3 0 45 247.338 3

Activity (Go SEA)

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