UCSF

ZINC39234560

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 14 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) 2.35 5.98 -6.01 0 2 0 22 185.226 3
Lo Low (pH 4.5-6) 2.35 6.45 -34.2 1 2 1 23 186.234 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0030526A1; EP0084920A2; US4426386; US4719219; US4937346 IBM Patent Data

Activity (Go SEA)

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