UCSF

ZINC34450124

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 13 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) 2.53 4.46 -5.81 1 2 0 21 183.226 5
Lo Low (pH 4.5-6) 2.53 5.03 -38.68 2 2 1 26 184.234 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4960884 IBM Patent Data

Activity (Go SEA)

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