UCSF

ZINC65493986

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 21 Yes

Popular Name: (3aR,6aR)-N-allyl-2-methyl-N-(3-thienylmethyl)-1,3,3a,4,5,6-hexahydropyrrolo[3,4-c]pyrrole-6a-carbox (3aR,6aR)-N-allyl-2-methyl-N-(3-…

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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) 1.27 4.11 -46.7 2 4 1 40 306.455 5 ↓
Hi High (pH 8-9.5) 1.27 2.66 -8.24 1 4 0 36 305.447 5 ↓
Lo Low (pH 4.5-6) 1.27 6.81 -110.15 3 4 2 41 307.463 5 ↓
Lo Low (pH 4.5-6) 1.27 5.36 -39.98 2 4 1 37 306.455 5 ↓

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

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