UCSF

ZINC33539582

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 27 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) 1.79 8.11 -14.19 0 7 0 89 376.397 2
Lo Low (pH 4.5-6) 1.79 8.51 -31.3 1 7 1 90 377.405 2

Activity (Go SEA)

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