UCSF

ZINC34233888

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 23 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) 5.07 10.67 -4.45 0 2 0 12 311.469 4
Mid Mid (pH 6-8) 5.07 12.36 -39.06 1 2 1 14 312.477 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0254150A1; US4804659; US4863917 IBM Patent Data

Activity (Go SEA)

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