UCSF

ZINC68897299

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 16 Yes

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

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Download: MOL2 SDF SMILES Flexibase

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) 0.63 4.99 -93.93 4 3 2 35 225.38 3 ↓
Hi High (pH 8-9.5) 0.63 2.84 -39.22 3 3 1 34 224.372 3 ↓
Lo Low (pH 4.5-6) 0.63 6.64 -218.79 5 3 3 37 226.388 3 ↓

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

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