UCSF

ZINC67966090

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 1.90 7.33 -86.63 2 6 2 57 344.459 6
Hi High (pH 8-9.5) 1.90 4.64 -43.07 1 6 1 56 343.451 6
Hi High (pH 8-9.5) 1.90 2.33 -9.35 0 6 0 55 342.443 6

Activity (Go SEA)

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

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