UCSF

ZINC16052584

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2008 20 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) -0.14 8.66 -309.47 0 8 -4 161 286.236 10
Lo Low (pH 4.5-6) -0.14 6.92 -221.49 1 8 -3 158 287.244 10

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.89e+00 g/l DrugBank-experimental

Activity (Go SEA)

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