UCSF

ZINC04689750

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2005 16 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) 2.95 1.7 -36.5 1 2 1 14 220.336 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0604494A1; EP0604494B1; US5580885; WO1993005038A1 IBM Patent Data

Activity (Go SEA)

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