UCSF

ZINC33819149

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 25 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) 2.95 5.63 -13.72 2 5 0 71 335.407 3
Lo Low (pH 4.5-6) 2.95 6.46 -30.43 3 5 1 72 336.415 3

Activity (Go SEA)

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