UCSF

ZINC09377633

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 22 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) 1.93 0.83 -16.96 0 4 0 42 296.37 5
Lo Low (pH 4.5-6) 1.93 0.94 -38.28 1 4 1 43 297.378 5

Activity (Go SEA)

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