UCSF

ZINC05375867

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 23 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) 1.70 3.42 -10.3 0 8 0 104 337.357 9
Lo Low (pH 4.5-6) 1.70 3.9 -44.98 1 8 1 106 338.365 9

Activity (Go SEA)

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