UCSF

ZINC38724928

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 17 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) -1.25 0.08 -9.7 0 6 0 53 241.291 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0734389A1; EP0734389B1; US5912253 IBM Patent Data

Activity (Go SEA)

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