UCSF

ZINC39279479

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 11 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) 0.89 3.12 -8.5 1 3 0 53 146.149 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0468695A1; EP0468695B1; EP0540854B1; US5656264 IBM Patent Data

Activity (Go SEA)

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