UCSF

ZINC34519889

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 18 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) 2.26 8.29 -10.17 0 4 0 47 247.294 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0789571A1; US5629322; WO1996014844A1 IBM Patent Data

Activity (Go SEA)

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