UCSF

ZINC27552551

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 21 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) 3.50 3.78 -17.25 2 4 0 67 284.311 4
Mid Mid (pH 6-8) 3.50 4.57 -50.44 1 4 -1 70 283.303 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1995006628A1; WO1999000114A2 IBM Patent Data

Activity (Go SEA)

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