UCSF

ZINC34615886

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 31 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) 3.45 8.62 -14.24 2 6 0 74 412.493 4
Mid Mid (pH 6-8) 3.45 9.52 -31.79 3 6 1 75 413.501 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0284256A1; US4820834; US5004741 IBM Patent Data

Activity (Go SEA)

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