UCSF

ZINC06273364

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2006 11 No

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) 0.09 -1.04 -5.58 3 4 0 72 158.201 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0515553B1; US5093466; US5223603; US5391640; WO1993021276A1 IBM Patent Data

Activity (Go SEA)

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