UCSF

ZINC70337149

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2011 20 Yes

Popular Name: (2R)-3-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-cyclopropyl-2-(ethylamin (2R)-3-[(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) 1.35 4.67 -77.69 4 4 2 45 283.46 6 ↓
Hi High (pH 8-9.5) 1.35 4.64 -28.27 3 4 1 40 282.452 6 ↓
Hi High (pH 8-9.5) 1.35 3.11 -31.55 3 4 1 43 282.452 6 ↓

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

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