UCSF

ZINC43396457

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 1.50 6.78 -38.89 4 4 1 55 279.433 5
Hi High (pH 8-9.5) 1.50 4.63 -10.68 3 4 0 54 278.425 5
Lo Low (pH 4.5-6) 1.50 7.1 -95.71 5 4 2 57 280.441 5

Activity (Go SEA)

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