UCSF

ZINC44824024

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 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) -0.68 -1.72 -15.21 2 4 0 73 142.158 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0376590A2; EP0376590B1; US5021511 IBM Patent Data

Activity (Go SEA)

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