UCSF

ZINC34655951

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 2.22 6.12 -37.78 2 4 1 48 273.356 7
Lo Low (pH 4.5-6) 2.22 6.57 -88.81 3 4 2 49 274.364 7

Activity (Go SEA)

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