UCSF

ZINC04096223

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 27 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) -2.19 -0.92 -314.72 3 15 -4 244 423.171 6
Mid Mid (pH 6-8) -2.19 -2.07 -205.45 4 15 -3 241 424.179 6
Lo Low (pH 4.5-6) -2.19 -3.1 -100.07 5 15 -2 238 425.187 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0192315A1; US4855304 IBM Patent Data

Activity (Go SEA)

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