UCSF

ZINC00524407

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 18 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) 4.33 8.3 -5.95 0 2 0 22 239.318 3
Lo Low (pH 4.5-6) 4.33 7.96 -34.79 1 2 1 23 240.326 3
Lo Low (pH 4.5-6) 4.33 8.66 -30.67 1 2 1 23 240.326 3

Activity (Go SEA)

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