UCSF

ZINC35101602

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 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) 2.84 6.54 -4.2 0 2 0 26 156.225 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0337637A1; EP0337637B1; EP0363223A2; EP0443883A1; EP0503785A1; EP0518558A1; EP0518558B1; EP0536936A1; EP0536936B1; EP0545912A3; EP0560613A1; EP0560613B1; EP0567271A2; EP0567271B1; EP0570245A2; EP0570245B1; EP0573218A2; EP0573218A3; EP0587311A1; EP059079 IBM Patent Data

Activity (Go SEA)

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