UCSF

ZINC62940692

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 17 Yes

Popular Name: (1S,2S)-2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-N-methyl-cyclopentanami (1S,2S)-2-[(9aR)-1,3,4,5,7,8,9,9…

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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) 1.56 6.05 -83.29 3 3 2 24 239.407 2 ↓
Hi High (pH 8-9.5) 1.56 5.16 -28.05 2 3 1 20 238.399 2 ↓
Hi High (pH 8-9.5) 1.56 4.47 -37.57 2 3 1 23 238.399 2 ↓

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

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