UCSF

ZINC04700555

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2005 24 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) 4.63 10.45 -41.79 2 3 1 35 320.412 7
Hi High (pH 8-9.5) 4.63 9.07 -6.83 1 3 0 30 319.404 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1996034851A1 IBM Patent Data

Activity (Go SEA)

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