UCSF

ZINC19435086

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 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) 0.08 0.61 -54.46 4 4 1 68 227.328 1
Hi High (pH 8-9.5) 0.08 0.55 -8.81 3 4 0 67 226.32 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0998469A1; WO1999005133A1 IBM Patent Data

Activity (Go SEA)

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