UCSF

ZINC16051901

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2008 21 No

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) 1.25 4.59 -21.92 0 9 0 108 293.283 5

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.03e-01 g/l DrugBank-experimental

Activity (Go SEA)

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