UCSF

ZINC33979246

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 25 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) -3.11 -1.79 -256.46 2 13 -3 206 399.165 6
Mid Mid (pH 6-8) -3.11 -2.94 -136.3 3 13 -2 203 400.173 6

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.94e+00 g/l DrugBank-experimental

Activity (Go SEA)

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