UCSF

ZINC34559232

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 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) 1.83 4.77 -11.52 0 5 0 42 261.325 4
Mid Mid (pH 6-8) 1.83 7.05 -42.57 1 5 1 43 262.333 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5580982 IBM Patent Data

Activity (Go SEA)

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