UCSF

ZINC05605239

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 20 Yes

CAS Numbers: 118-00-3 , [118-00-3]

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) -2.02 -6.37 -22.52 6 10 0 160 283.244 2

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.53e+01 g/l DrugBank-experimental

Activity (Go SEA)

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