UCSF

ZINC38525642

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 19 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) 3.98 10.46 -54.13 0 2 -1 40 249.289 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0726500A1; EP0726500B1; EP0952489A1; EP0967522A1; US5731125; US6159656 IBM Patent Data

Activity (Go SEA)

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