UCSF

ZINC36450747

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 20 No

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) 3.08 8.84 -8.22 0 4 0 47 275.348 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0621270A1; EP0621270B1; US5643908 IBM Patent Data

Activity (Go SEA)

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