UCSF

ZINC69075270

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Substance Information

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

Popular Name: (1S)-2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-cyclopropyl-N-ethyl-etha (1S)-2-[(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) 1.91 7.92 -81.96 3 3 2 24 253.434 5 ↓
Hi High (pH 8-9.5) 1.91 6.36 -36.03 2 3 1 23 252.426 5 ↓
Lo Low (pH 4.5-6) 1.91 9.55 -200.08 4 3 3 25 254.442 5 ↓

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

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