UCSF

ZINC32252871

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 17 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) 6.43 8.98 -2.61 1 1 0 20 234.383 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0588800B1; EP0593653B1; EP0595979B1; US5095082; US5143992; WO1993002121A1 IBM Patent Data

Activity (Go SEA)

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