UCSF

ZINC12503073

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 15 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) 0.83 3.06 -32.2 5 5 1 84 214.289 2

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.93e+00 g/l DrugBank-approved

Activity (Go SEA)

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