UCSF

ZINC13608800

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 25 No

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) 0.86 0.11 -20.08 2 7 0 86 363.439 5
Lo Low (pH 4.5-6) 0.86 3.37 -107.03 4 7 2 89 365.455 5

Activity (Go SEA)

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