UCSF

ZINC37490600

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 16 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) 2.66 5.21 -37.08 3 2 1 37 220.336 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5367073 IBM Patent Data

Activity (Go SEA)

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