UCSF

ZINC36447790

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 9 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) -1.37 -1.46 -96.74 6 3 2 65 134.223 4
Hi High (pH 8-9.5) -1.37 -1.92 -39.64 5 3 1 63 133.215 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1045022A1 IBM Patent Data

Activity (Go SEA)

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