UCSF

ZINC04293804

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 28 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) -0.19 -10.49 -25.28 5 11 0 162 387.352 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0506830A1; EP0962463A1; WO1991009033A1 IBM Patent Data

Activity (Go SEA)

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