UCSF

ZINC34612618

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 14 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) 2.22 5.21 -7.37 2 3 0 42 185.23 2
Mid Mid (pH 6-8) 2.22 6.24 -30.05 3 3 1 43 186.238 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0542203A2; EP0542203B1 IBM Patent Data

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