UCSF

ZINC04226760

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 15 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) 0.20 5.09 -104.65 4 3 2 45 209.337 7
Lo Low (pH 4.5-6) 0.20 5.37 -161.57 5 3 3 46 210.345 7

Activity (Go SEA)

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