UCSF

ZINC05065160

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 16 Yes

CAS Number: 1209-98-9

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) 3.80 0.2 -37.63 2 1 1 16 216.348 3

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.95e-03 g/l DrugBank-withdrawn

Activity (Go SEA)

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