UCSF

ZINC53683302

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 27 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) -3.14 -1.6 -343.23 3 15 -4 244 423.171 6
Mid Mid (pH 6-8) -3.14 -2.75 -217.23 4 15 -3 241 424.179 6
Lo Low (pH 4.5-6) -3.14 -3.9 -108.72 5 15 -2 238 425.187 6

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.33e+00 g/l DrugBank-experimental

Activity (Go SEA)

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