UCSF

ZINC34590374

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 28 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) 3.72 10.38 -44.48 3 5 1 60 402.946 6
Hi High (pH 8-9.5) 3.72 8.17 -10.98 2 5 0 59 401.938 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4367232 IBM Patent Data

Activity (Go SEA)

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