UCSF

ZINC53683391

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 24 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) -2.68 -4.44 -148.73 5 13 -2 212 361.207 4
Mid Mid (pH 6-8) -2.68 -5.49 -61.86 6 13 -1 209 362.215 4

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.56e+00 g/l DrugBank-experimental

Activity (Go SEA)

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