UCSF

ZINC35206241

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 17 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) 2.46 8.49 -37.92 2 4 1 42 237.371 5
Lo Low (pH 4.5-6) 2.46 8.87 -80.39 3 4 2 43 238.379 5

Activity (Go SEA)

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