UCSF

ZINC34957178

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 16 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) 2.50 6.07 -5.71 1 2 0 25 216.259 3
Lo Low (pH 4.5-6) 2.50 6.54 -35.46 2 2 1 26 217.267 3

Activity (Go SEA)

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