UCSF

ZINC05851334

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 11 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) -2.16 -10.06 -7.24 4 5 0 90 164.157 1

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.02e+03 g/l DrugBank-experimental

Activity (Go SEA)

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