UCSF

ZINC08437287

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 16 No

CAS Numbers: 3055-99-0 , 9002-92-0

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) 5.05 -0.93 -4.32 1 2 0 29 230.392 13

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.86e-03 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0232624A2; EP0244177A2; EP1008902A1; EP1014184A2; EP1014184A3; EP1020763A3 IBM Patent Data

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

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