UCSF

ZINC36453520

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 27 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) 1.77 3.49 -18.33 3 7 0 93 370.405 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000006556A1 IBM Patent Data

Activity (Go SEA)

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