UCSF

ZINC34390682

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 28 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) 0.51 1.84 -140.76 3 12 -2 178 415.343 8
Mid Mid (pH 6-8) 0.51 0.68 -50.35 4 12 -1 175 416.351 8

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.74e+00 g/l DrugBank-experimental

Activity (Go SEA)

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