UCSF

ZINC05104170

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 21 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) -1.12 -9.84 -17.68 5 10 0 148 294.271 2
Lo Low (pH 4.5-6) -1.12 -9.7 -42.8 6 10 1 149 295.279 2

Activity (Go SEA)

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