UCSF

ZINC32230893

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 1.59 6.14 -55.92 1 4 -1 69 228.312 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0620008A1; EP0620008B1 IBM Patent Data

Activity (Go SEA)

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