UCSF

ZINC34569041

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 10 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) -3.21 -0.36 -91.93 6 4 1 95 147.198 4
Hi High (pH 8-9.5) -3.21 -0.66 -67.68 5 4 0 94 146.19 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6127420 IBM Patent Data

Activity (Go SEA)

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