UCSF

ZINC36463114

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 24 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) 5.60 13.24 -5.59 0 4 0 53 334.456 12

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% )