UCSF

ZINC39309137

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 36 No

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) 5.33 14.29 -47.33 1 7 1 73 526.444 9
Mid Mid (pH 6-8) 5.33 13.77 -12.89 0 7 0 71 525.436 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4218458; US4313953; US4533550 IBM Patent Data

Activity (Go SEA)

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