UCSF

ZINC59896304

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 18 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) -0.82 0.5 -105.17 7 6 2 111 261.366 9
Mid Mid (pH 6-8) -0.82 0.2 -45.02 6 6 1 109 260.358 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5362902 IBM Patent Data

Activity (Go SEA)

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