UCSF

ZINC49409562

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 27 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) 1.87 7.67 -63.72 3 6 0 89 383.473 4
Hi High (pH 8-9.5) 1.87 5.44 -55.01 2 6 -1 88 382.465 4
Hi High (pH 8-9.5) 1.59 3.1 -16.08 2 6 0 82 383.473 4

Activity (Go SEA)

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

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