UCSF

ZINC34526675

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 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) -0.55 -1.94 -20.85 3 7 0 105 380.138 4
Hi High (pH 8-9.5) -0.10 -4.6 -59.16 2 7 -1 108 379.13 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0433898A2; EP0433898A3; US5420276; US5597824 IBM Patent Data

Activity (Go SEA)

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