UCSF

ZINC37834251

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 No

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) 1.72 6.37 -10.88 0 4 0 42 329.238 7
Lo Low (pH 4.5-6) 1.72 6.79 -35.94 1 4 1 44 330.246 7

Activity (Go SEA)

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