UCSF

ZINC44119240

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 19 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) 2.34 6.44 -9.65 2 4 0 65 248.289 2
Lo Low (pH 4.5-6) 2.34 6.9 -41.09 3 4 1 66 249.297 2

Activity (Go SEA)

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