UCSF

ZINC39929305

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2010 9 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) 0.50 -1.36 -37.49 2 2 0 31 126.203 0
Mid Mid (pH 6-8) 0.50 0.27 -36.78 3 2 1 29 127.211 0
Lo Low (pH 4.5-6) 0.50 1.57 -104.42 4 2 2 33 128.219 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000031077A1 IBM Patent Data

Activity (Go SEA)

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