UCSF

ZINC32164666

Substance Information

In ZINC since Heavy atoms Benign functionality
April 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) 1.83 5.37 -6.34 0 3 0 36 174.24 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4247421 IBM Patent Data

Activity (Go SEA)

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