UCSF

ZINC39366076

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 34 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) 5.92 14.1 -44.3 2 5 1 52 461.626 11
Hi High (pH 8-9.5) 5.92 12.06 -12.24 1 5 0 51 460.618 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999001127A1 IBM Patent Data

Activity (Go SEA)

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