UCSF

ZINC12503544

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 6 Yes

CAS Number: 822-36-6

Other Names:

MFCD00005201

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) 0.34 0.93 -5.94 0 2 0 25 82.106 0

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.78e+02 g/l DrugBank-experimental

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.