UCSF

ZINC62943141

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Substance Information

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

Popular Name: (2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-cyclopropyl-propan-2-ami (2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-o…

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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) 1.61 5.91 -93.11 4 3 2 35 239.407 3 ↓
Hi High (pH 8-9.5) 1.61 4.33 -37 3 3 1 34 238.399 3 ↓
Lo Low (pH 4.5-6) 1.61 6.77 -197.75 5 3 3 37 240.415 3 ↓

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

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