UCSF

ZINC49353448

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 29 Yes

Popular Name: 2-(1,2-benzoxazol-3-yl)-N-[2-[[6-(3-pyridylamino)pyridazin-3-yl]amino]ethyl]acetamide 2-(1,2-benzoxazol-3-yl)-N-[2-[[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) 2.59 5.57 -27.79 3 9 0 118 389.419 8 ↓
Mid Mid (pH 6-8) 2.59 5.74 -55.7 4 9 1 119 390.427 8 ↓
Lo Low (pH 4.5-6) 2.59 6.2 -104.4 5 9 2 120 391.435 8 ↓
Lo Low (pH 4.5-6) 2.59 6.03 -54.42 4 9 1 119 390.427 8 ↓

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Rings

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

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