UCSF

ZINC26496346

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 20 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) 3.83 9.6 -42.02 1 3 1 31 294.802 3
Hi High (pH 8-9.5) 3.83 7.28 -4.4 0 3 0 30 293.794 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0604352A2; EP0604352A3; EP0604354A3; EP0604355A2; EP0604355A3; EP0604355B1; EP0756596A1; US5369113; US5374636; US5444070; US5554626; US5736556 IBM Patent Data

Activity (Go SEA)

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