UCSF

ZINC65528379

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 Yes

Popular Name: (3aR,6aR)-N-[3-(2-ethylanilino)-3-oxo-propyl]-5-methyl-1,2,3,3a,4,6-hexahydropyrrolo[3,4-c]pyrrole-6 (3aR,6aR)-N-[3-(2-ethylanilino)-…

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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) 1.67 2.89 -59.13 4 6 1 78 345.467 6 ↓
Hi High (pH 8-9.5) 1.67 4.14 -53.91 4 6 1 75 345.467 6 ↓
Hi High (pH 8-9.5) 1.67 1.44 -19.5 3 6 0 73 344.459 6 ↓
Lo Low (pH 4.5-6) 1.67 5.59 -122.74 5 6 2 79 346.475 6 ↓

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Rings

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

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