UCSF

ZINC02145546

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 13 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) 0.54 2.42 -5.13 1 4 0 55 199.128 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0757677A1; US5538988; US5719280; WO1995029165A2 IBM Patent Data

Activity (Go SEA)

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