UCSF

ZINC31351051

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 29 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) 3.11 16.6 -20.82 0 2 1 9 381.543 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0684463A1; US4036551; US4053763; US4059759; US4085949; US4104910; US4232552; US4299727; US4339207; US4345470; US4362645; US4397570; US5094545; US5401100; US5525519; US5599719; US5641629; US5650275; US5816707; WO1993014110A1; WO1996022383A1 IBM Patent Data

Activity (Go SEA)

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