UCSF

ZINC00017044

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 23 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) 2.96 0.38 -12.26 1 4 0 62 315.413 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0634930A1; US5602173; WO1993019747A1 IBM Patent Data

Activity (Go SEA)

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