UCSF

ZINC44798176

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 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) 1.34 3.39 -55.6 4 4 1 70 244.318 3
Lo Low (pH 4.5-6) 1.34 3.77 -86.28 5 4 2 71 245.326 3

Activity (Go SEA)

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