UCSF

ZINC48375994

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 18 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) 0.91 5.42 -13.55 1 4 0 45 239.278 1
Lo Low (pH 4.5-6) 0.91 5.88 -43.78 2 4 1 46 240.286 1

Activity (Go SEA)

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