UCSF

ZINC77865970

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2012 25 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) 3.25 6.15 -10.41 2 3 0 58 342.479 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0350488A1; EP0350488B1; US5225335 IBM Patent Data

Activity (Go SEA)

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