UCSF

ZINC34588182

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 24 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) 3.63 9.49 -10.32 0 3 0 30 339.801 1
Mid Mid (pH 6-8) 3.63 9.96 -32.05 1 3 1 31 340.809 1
Lo Low (pH 4.5-6) 3.63 10.36 -31.43 1 3 1 32 340.809 1

Activity (Go SEA)

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