UCSF

ZINC03869311

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 18 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) 0.15 -8.54 -11.4 4 8 0 119 251.246 1
Lo Low (pH 4.5-6) -2.36 -8.4 -34.01 5 8 1 121 252.254 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0037310A1; US4374128 IBM Patent Data

Activity (Go SEA)

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