UCSF

ZINC34445064

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 17 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) -0.23 4.34 -45.91 4 4 1 74 238.307 6
Mid Mid (pH 6-8) -0.23 4.84 -31.12 3 4 0 77 237.299 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0912504A1; US6057452; WO1997042167A1 IBM Patent Data

Activity (Go SEA)

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