UCSF

ZINC44721539

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 18 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) 1.67 4.68 -35.81 3 4 1 46 254.398 6
Lo Low (pH 4.5-6) 1.67 6.15 -110.18 4 4 2 50 255.406 6
Lo Low (pH 4.5-6) 1.67 3.74 -41.56 3 4 1 49 254.398 6

Activity (Go SEA)

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