UCSF

ZINC33834558

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.35 7.48 -4 0 1 0 9 288.128 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0764159A1; EP0764159B1; US5843989; WO1995034547A1 IBM Patent Data

Activity (Go SEA)

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