UCSF

ZINC39333966

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 29 Yes

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) 3.50 12.48 -50.53 1 5 1 37 394.539 7
Mid Mid (pH 6-8) 3.50 10.28 -10.23 0 5 0 36 393.531 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4734416 IBM Patent Data

Activity (Go SEA)

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