UCSF

ZINC19864903

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 16 Yes

Other Names:

MFCD03939167

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) 1.24 3.61 -32.96 2 3 1 28 225.356 2
Hi High (pH 8-9.5) 1.24 1.32 -3.63 1 3 0 27 224.348 2

Activity (Go SEA)

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