UCSF

ZINC64539073

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 29 No

Popular Name: 6-[(3aR,6aS)-2-(2-naphthylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridine-3-carboh 6-[(3aR,6aS)-2-(2-naphthylmethyl…

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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) 3.10 9.76 -58.56 3 6 1 70 389.479 4 ↓
Hi High (pH 8-9.5) 3.10 10.97 -91.59 2 6 0 73 388.471 4 ↓
Lo Low (pH 4.5-6) 3.10 10.15 -116.32 4 6 2 71 390.487 4 ↓

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

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