UCSF

ZINC01537518

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 30 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) 4.20 -1.97 -52.86 2 5 -1 93 428.867 7
Lo Low (pH 4.5-6) 4.20 -1.92 -72.9 3 5 0 94 429.875 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4761419 IBM Patent Data

Activity (Go SEA)

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