UCSF

ZINC33969811

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 30 No

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) 1.91 0.28 -25.3 6 10 0 165 418.402 9
Hi High (pH 8-9.5) 1.91 1.35 -67.35 5 10 -1 168 417.394 9
Hi High (pH 8-9.5) 1.91 1.35 -66.61 5 10 -1 168 417.394 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999042435A2 IBM Patent Data

Activity (Go SEA)

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