UCSF

ZINC03123553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 17 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) 2.07 -0.68 -41.89 2 3 1 33 233.335 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0767770A1; EP0830349A1; EP0830349B1; US5532356; US5637780; US5877312; WO1996000708A1 IBM Patent Data

Activity (Go SEA)

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