UCSF

ZINC05764605

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 9 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) -4.49 2.16 -36.11 2 3 1 43 131.199 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0473881A1; EP0510246A1; EP0510246B1; EP0799820A1; EP0799820B1; EP0900834A1; US5280095; US5300606; US5338815; US5407996; US5744118; US5788950; US5852214; US6166253 IBM Patent Data

Activity (Go SEA)

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