UCSF

ZINC34368213

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 13 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) 1.67 2.11 -26.51 4 3 1 51 187.307 2
Mid Mid (pH 6-8) 1.67 1.06 -37.86 4 3 1 51 187.307 2
Mid Mid (pH 6-8) 1.67 1.23 -2.78 3 3 0 49 186.299 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5006540 IBM Patent Data

Activity (Go SEA)

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