UCSF

ZINC35248922

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 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) -0.03 5.54 -15.73 0 6 0 63 251.286 5
Lo Low (pH 4.5-6) -0.03 5.88 -35.7 1 6 1 64 252.294 5

Activity (Go SEA)

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