UCSF

ZINC36455937

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 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) 0.93 3.27 -13.87 1 3 0 50 173.171 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0382185A2; EP0382185B1; US5225402; US5436254; US5652247; WO1994001113A1 IBM Patent Data

Activity (Go SEA)

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