UCSF

ZINC05332147

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 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) 2.78 6.38 -15.1 0 4 0 48 257.27 0
Lo Low (pH 4.5-6) 2.78 6.67 -41.07 1 4 1 50 258.278 0

Activity (Go SEA)

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