UCSF

ZINC38557858

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 34 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) 5.44 13.85 -63.17 0 4 -1 74 467.67 1
Lo Low (pH 4.5-6) 5.44 11.89 -16.19 1 4 0 71 468.678 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0384386A1; US4908213 IBM Patent Data

Activity (Go SEA)

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