UCSF

ZINC69157781

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 23 Yes

Popular Name: 3-[2-[[(2R)-2-(dimethylamino)-2-(2-furyl)ethyl]amino]ethyl]-1,3-benzoxazol-2-one 3-[2-[[(2R)-2-(dimethylamino)-2-…

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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) 1.55 6.72 -51.6 2 6 1 68 316.381 7 ↓
Hi High (pH 8-9.5) 1.55 7.25 -42.14 2 6 1 65 316.381 7 ↓
Mid Mid (pH 6-8) 1.55 8.53 -121.31 3 6 2 69 317.389 7 ↓

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

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