UCSF

ZINC22116590

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 31 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) 2.56 4.59 -15.07 2 6 0 93 434.504 2
Hi High (pH 8-9.5) 2.56 5.35 -56.71 1 6 -1 96 433.496 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0904266A1; WO1997034871A1 IBM Patent Data

Activity (Go SEA)

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