UCSF

ZINC40276150

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 28 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) 2.35 9.51 -18.56 1 6 0 67 376.46 5
Lo Low (pH 4.5-6) 2.35 9.96 -32.44 2 6 1 68 377.468 5

Activity (Go SEA)

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