UCSF

ZINC19726381

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 11 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 5.42 -45.1 0 2 -1 40 169.225 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0525129A1; WO1991016313A1 IBM Patent Data

Activity (Go SEA)

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