UCSF

ZINC02383055

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 19 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) -1.93 -5.3 -10.3 3 8 0 114 272.257 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0711148B1; US4990499; US5853755; US5993851; WO1995003787A1 IBM Patent Data

Activity (Go SEA)

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