UCSF

ZINC67514439

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 25 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) -0.15 4.71 -65.06 4 8 1 105 340.411 3
Hi High (pH 8-9.5) -0.15 3.38 -17.3 3 8 0 101 339.403 3
Lo Low (pH 4.5-6) -0.15 5.15 -96.01 5 8 2 106 341.419 3

Activity (Go SEA)

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

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