UCSF

ZINC53684110

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 21 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) -2.60 -6.38 -160.31 4 11 -2 183 321.182 4
Mid Mid (pH 6-8) -2.60 -7.53 -71.26 5 11 -1 180 322.19 4

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.74e+01 g/l DrugBank-experimental

Activity (Go SEA)

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