UCSF

ZINC33903671

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 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) 5.91 13.7 -92.62 0 4 -2 80 298.423 16
Lo Low (pH 4.5-6) 5.91 11.72 -48.37 1 4 -1 77 299.431 16

Vendor Notes

Note Type Comments Provided By
MP 121 TCI
PUBCHEM_PATENT_ID EP0138504A2; US4659516 IBM Patent Data

Activity (Go SEA)

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