UCSF

ZINC44723325

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 13 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) 0.98 3.72 -34.02 2 4 1 52 190.263 7
Mid Mid (pH 6-8) 0.98 2.64 -7.43 1 4 0 48 189.255 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6114310 IBM Patent Data

Activity (Go SEA)

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