UCSF

ZINC20058080

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 20 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) 3.50 7.37 -5.57 0 4 0 39 285.428 10
Lo Low (pH 4.5-6) 3.50 9.55 -37.1 1 4 1 40 286.436 10

Activity (Go SEA)

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