UCSF

ZINC67562834

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 26 No

Popular Name: (3aS,6aR)-5-[(3-hydroxyphenyl)methyl]-3-(3-morpholinopropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d]oxazo (3aS,6aR)-5-[(3-hydroxyphenyl)me…

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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) 0.96 1.68 -14 1 7 0 65 361.442 6 ↓
Mid Mid (pH 6-8) 0.96 3.94 -49.87 2 7 1 67 362.45 6 ↓
Lo Low (pH 4.5-6) 0.96 6.41 -113.01 3 7 2 68 363.458 6 ↓

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

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