UCSF

ZINC00895040

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 12 Yes

CAS Number: 7776-48-9

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) -2.04 -12.23 -12.18 5 6 0 110 180.156 2

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.11e+03 g/l DrugBank-experimental

Activity (Go SEA)

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