UCSF

ZINC43252468

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 0.34 2.39 -48.78 3 4 1 51 276.813 5
Hi High (pH 8-9.5) 0.34 2.07 -6.82 2 4 0 50 275.805 5
Lo Low (pH 4.5-6) 0.34 4.36 -124.64 4 4 2 52 277.821 5

Activity (Go SEA)

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