UCSF

ZINC34380756

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 12 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) 1.21 6.01 -32.15 2 3 0 57 173.256 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999048858A2 IBM Patent Data

Activity (Go SEA)

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