UCSF

ZINC38242384

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 21 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) 1.66 8.11 -88.1 3 4 2 41 291.439 6
Mid Mid (pH 6-8) 1.66 7.05 -36.82 2 4 1 37 290.431 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000001726A1 IBM Patent Data

Activity (Go SEA)

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