UCSF

ZINC33833762

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 34 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) 8.24 13.72 -11.91 2 4 0 67 458.598 7
Hi High (pH 8-9.5) 8.24 14.54 -47.37 1 4 -1 70 457.59 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4085135 IBM Patent Data

Activity (Go SEA)

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