UCSF

ZINC69075281

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 19 Yes

Popular Name: N-[(1S)-2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-cyclopropyl-ethyl]pro N-[(1S)-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) 2.42 8.68 -83.09 3 3 2 24 267.461 6 ↓
Hi High (pH 8-9.5) 2.42 7.12 -36.78 2 3 1 23 266.453 6 ↓
Lo Low (pH 4.5-6) 2.42 10.31 -202.68 4 3 3 25 268.469 6 ↓

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

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