UCSF

ZINC67541114

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 25 No

Popular Name: (3aS,6aR)-3-(3-morpholinopropyl)-5-(4-pyridylmethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d]oxazol-2-one (3aS,6aR)-3-(3-morpholinopropyl)…

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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) 0.18 2.78 -13.57 0 7 0 58 346.431 6 ↓
Mid Mid (pH 6-8) 0.18 5.05 -49.95 1 7 1 59 347.439 6 ↓
Lo Low (pH 4.5-6) 0.18 5.5 -89.73 2 7 2 61 348.447 6 ↓
Lo Low (pH 4.5-6) 0.18 7.5 -114.85 2 7 2 61 348.447 6 ↓

Activity (Go SEA)

Rings

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

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