UCSF

ZINC39205138

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 25 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) 3.63 7.65 -13.17 2 6 0 84 354.435 5
Hi High (pH 8-9.5) 3.63 7.72 -44.88 1 6 -1 86 353.427 5

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 7.62e-03 g/l DrugBank-experimental

Activity (Go SEA)

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