UCSF

ZINC12362075

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 23 No

Other Names:

MFCD02670110

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) -4.30 -17.22 -12.68 8 11 0 190 342.297 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0065123A1; EP0144257A2; EP0144257B1; EP0243452A1; EP0243452B1; EP0263027A1; EP0337889A1; EP0337889B2; EP0373118A2; EP0394496A1; EP0394496B1; EP0407605B1; EP0413307A1; EP0415720A2; EP0415720B1; EP0447322A3; EP0447322B1; EP0479771A2; EP0479771A3; EP049486 IBM Patent Data

Activity (Go SEA)

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