UCSF

ZINC05612483

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 22 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) 4.63 0.35 -10.49 1 3 0 38 299.414 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1037878A2; WO1999026927A2 IBM Patent Data

Activity (Go SEA)

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