UCSF

ZINC34351517

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 21 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) 4.65 10.43 -12.2 0 2 0 26 276.335 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0375368A2; EP0375368B1; EP0375457A2; EP0375457B1; US4870210; US4889935; US5089513; US5098932; US5132328; US5196422; US5214069; US5219881 IBM Patent Data

Activity (Go SEA)

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