UCSF

ZINC34026068

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 36 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) 1.47 4.24 -19.8 2 9 0 99 500.592 9
Mid Mid (pH 6-8) 1.47 6.49 -54.54 3 9 1 100 501.6 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000040529A1 IBM Patent Data

Activity (Go SEA)

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