UCSF

ZINC01712685

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 10 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) 0.59 0.69 -11.37 2 3 0 49 145.202 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0537543A1; US5358949; WO1999051564A1 IBM Patent Data

Activity (Go SEA)

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