UCSF

ZINC39250338

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 11 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) 1.14 4.18 -2.87 2 1 0 26 145.205 2
Mid Mid (pH 6-8) 1.14 4.48 -39.37 3 1 1 28 146.213 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3992366 IBM Patent Data

Activity (Go SEA)

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