UCSF

ZINC32193714

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 10 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.83 -2.93 -26.87 4 4 1 70 143.166 2
Mid Mid (pH 6-8) -0.83 -3.36 -9.27 3 4 0 69 142.158 2
Mid Mid (pH 6-8) -0.83 -3.52 -10.26 3 4 0 69 142.158 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0203400A1; US4734509 IBM Patent Data

Activity (Go SEA)

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