UCSF

ZINC34384800

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 27 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) 2.20 5.64 -105.42 6 7 2 95 400.951 9
Hi High (pH 8-9.5) 2.20 3.41 -47.23 5 7 1 93 399.943 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4906643; US5130312 IBM Patent Data

Activity (Go SEA)

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