UCSF

ZINC21663259

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 13 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) 0.85 4.47 -45.49 0 5 -1 66 177.187 1
Lo Low (pH 4.5-6) 0.39 5.62 -17.16 1 5 0 63 178.195 1

Activity (Go SEA)

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