UCSF

ZINC62940467

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 20 Yes

Popular Name: (1S,2R)-2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-phenyl-propan-1-amine (1S,2R)-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) 0.34 6.45 -29.27 3 3 1 34 274.432 3 ↓
Hi High (pH 8-9.5) 0.34 4.82 -2.86 2 3 0 32 273.424 3 ↓
Hi High (pH 8-9.5) 0.34 5.13 -45.97 3 3 1 34 274.432 3 ↓
Hi High (pH 8-9.5) 0.34 6.38 -30.63 3 3 1 34 274.432 3 ↓
Mid Mid (pH 6-8) 0.34 6.7 -90.23 4 3 2 35 275.44 3 ↓
Mid Mid (pH 6-8) 0.34 7.97 -100.14 4 3 2 35 275.44 3 ↓

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

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