UCSF

ZINC43273725

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 25 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) 2.14 15.78 -33.61 2 4 0 57 357.603 18
Hi High (pH 8-9.5) 2.14 15.99 -39.64 1 4 0 52 356.595 18

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999059957A1 IBM Patent Data

Activity (Go SEA)

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