UCSF

ZINC71618454

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 17 No

CAS Number: 55357-38-5

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) -2.29 7 -40.53 0 4 1 43 258.363 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0475512A1; US5153348; US5464754; US5804569; WO2000013690A1 IBM Patent Data

Activity (Go SEA)

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

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