UCSF

ZINC39273597

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 13 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) 2.56 3.09 -9.25 0 3 0 43 192.605 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0021372A2; EP0053320A2; EP0120255A1; EP0142104A2; EP0144093A1; EP0144580A2; EP0144776A2; EP0158110A2; EP0158882A2; EP0159962A2; EP0177449A1; EP0178255A1; EP0179019A1; EP0201026A2; EP0204245A2; EP0209494A1; EP0240839A2; EP0355586A2; EP0355586B1; EP047297 IBM Patent Data

Activity (Go SEA)

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