UCSF

ZINC34450598

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 15 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) 3.48 5.98 -6.78 1 2 0 25 197.237 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0858995A1; EP0985671A1; EP1034221A1; US4145537; US5902884; US5936087; US6018046; US6051719; US6111116; WO1999027020A1 IBM Patent Data

Activity (Go SEA)

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