UCSF

ZINC05834061

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 23 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) 3.31 10.12 -41.41 2 4 1 47 313.421 4
Mid Mid (pH 6-8) 3.31 7.97 -8.09 1 4 0 45 312.413 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0026671A1; US4166182; US4180582; US4202979; US4246265; US4321381 IBM Patent Data

Activity (Go SEA)

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