UCSF

ZINC12503219

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 26 Yes

CAS Number: 54350-48-0

Other Names:

Tegison

Tigason

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) 6.56 12.79 -8.14 0 3 0 36 354.49 8

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.05e-04 g/l DrugBank-withdrawn

Activity (Go SEA)

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