UCSF

ZINC19897557

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 23 Yes

Other Names:

MFCD09758097

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) 2.78 8.25 -9.55 0 5 0 43 352.891 6
Lo Low (pH 4.5-6) 2.78 10.52 -45.58 1 5 1 44 353.899 6

Activity (Go SEA)

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