UCSF

ZINC39222181

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 12 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) 3.63 6.99 -3.04 0 1 0 9 164.248 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0531812A1; US4190652; US5422360; WO1998043649A2 IBM Patent Data

Activity (Go SEA)

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