UCSF

ZINC27844230

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 24 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) 2.62 8.68 -62.56 1 4 1 40 328.432 1
Hi High (pH 8-9.5) 2.62 6.46 -13.15 0 4 0 39 327.424 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0039444A1; US4275205 IBM Patent Data

Activity (Go SEA)

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