UCSF

ZINC41256232

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 3.74 5.2 -5.67 2 3 0 52 230.311 3
Lo Low (pH 4.5-6) 3.74 5.46 -26.8 3 3 1 53 231.319 3

Activity (Go SEA)

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