UCSF

ZINC21020143

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 11 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) 1.30 0.96 -10.47 1 4 0 51 149.153 1
Mid Mid (pH 6-8) 1.30 1.08 -8.5 1 4 0 51 149.153 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0327335A1; EP0327335B1; US4605652; US4624961; US4863919 IBM Patent Data
PUBCHEM_PATENT_ID US4376635; US4536189 IBM Patent Data

Activity (Go SEA)

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