UCSF

ZINC61947271

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2011 25 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) 1.04 2.76 -109.42 6 5 2 82 344.455 2
Hi High (pH 8-9.5) 1.04 2.55 -44.69 5 5 1 80 343.447 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0577847A1; EP0663401A1; EP0846694A1 IBM Patent Data

Activity (Go SEA)

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