UCSF

ZINC14904333

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2008 22 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) 1.96 8.52 -14.08 0 3 0 51 300.398 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0300062A1; EP0300062B1; EP0310541B1; EP0310542A1; EP0310542B1; EP0399631A1; EP0399631B1; EP0495825A1; EP0495825B1; US4596797; US4598072; US4888331; US5733902; US5861389; US5906987 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.