UCSF

ZINC04115556

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 22 Yes

Other Names:

MFCD02942353

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) 2.71 6.97 -92.27 4 4 2 52 294.402 0
Hi High (pH 8-9.5) 2.71 5.4 -33.11 3 4 1 50 293.394 0
Hi High (pH 8-9.5) 2.71 6.09 -35.77 3 4 1 50 293.394 0
Hi High (pH 8-9.5) 2.71 5.19 -3.95 2 4 0 49 292.386 0
Hi High (pH 8-9.5) 2.71 4.86 -6.74 2 4 0 49 292.386 0

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.