UCSF

ZINC31974158

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 1.52 4.87 -57.04 0 5 -1 70 224.265 3
Lo Low (pH 4.5-6) 1.52 5.29 -49.79 1 5 0 72 225.273 3

Activity (Go SEA)

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