UCSF

ZINC49343621

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 32 Yes

Popular Name: 2-(1,2-benzoxazol-3-yl)-1-[4-[6-[(4-methyl-2-pyridyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone 2-(1,2-benzoxazol-3-yl)-1-[4-[6-…

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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) 3.51 11.22 -47.02 2 9 1 102 430.492 5 ↓
Mid Mid (pH 6-8) 3.51 11.13 -51.48 2 9 1 102 430.492 5 ↓
Mid Mid (pH 6-8) 3.51 11.27 -29.83 1 9 0 100 429.484 5 ↓
Lo Low (pH 4.5-6) 3.51 10.54 -39.87 3 9 0 103 431.5 5 ↓

Activity (Go SEA)

Rings

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

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