UCSF

ZINC39221960

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 15 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) 1.38 3.09 -37.97 0 4 -1 53 195.205 1
Mid Mid (pH 6-8) 1.38 3.55 -8.98 1 4 0 54 196.213 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4336257 IBM Patent Data

Activity (Go SEA)

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