UCSF

ZINC69517733

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 23 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) 1.41 2.01 -51.56 5 7 1 106 347.505 6
Hi High (pH 8-9.5) 1.41 -0.16 -16.48 4 7 0 105 346.497 6
Hi High (pH 8-9.5) 1.41 1.65 -48.6 4 7 0 108 346.497 6
Hi High (pH 8-9.5) 1.41 -0.52 -43.44 3 7 -1 107 345.489 6

Activity (Go SEA)

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

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