UCSF

ZINC26053036

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 10 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) 2.29 5.63 -5.17 0 1 0 13 132.162 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0010735A1; EP0011276A1; EP0014402A1; EP0237695A2; EP0249096A2; EP0262318A2; EP0264795A2; EP0272444A2; EP0284942A2; EP0286813A2; EP0292800A2; EP0300287A2; EP0300287B1; EP0309841A2; EP0327877A2; EP0328978A2; EP0330925A2; EP0337334A2; EP0339483A2; EP034232 IBM Patent Data

Activity (Go SEA)

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