UCSF

ZINC05758299

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 9 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) 1.05 1.46 -19.3 0 3 0 36 150.199 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0912583A1; US5936109; WO1998002445A1 IBM Patent Data

Activity (Go SEA)

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