UCSF

ZINC14443921

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2008 12 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) 0.80 0.69 -8.35 2 3 0 49 165.192 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0080355A1; EP0080355B2; US4401752 IBM Patent Data

Activity (Go SEA)

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