UCSF

ZINC32221387

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 25 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) 7.09 14.41 -5.59 0 3 0 36 346.511 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0107116A1; EP0167912A2; EP0169327A2; US4439015; US4452718; US4460770; US4704005; US4709030; US4783280; US4915480; US4980486 IBM Patent Data

Activity (Go SEA)

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