UCSF

ZINC62942171

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1R)-3-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1-phenyl-propan-1-ol (1R)-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) 1.98 6.54 -31.73 2 3 1 28 275.416 4 ↓
Hi High (pH 8-9.5) 1.98 6.93 -36.26 2 3 1 28 275.416 4 ↓
Hi High (pH 8-9.5) 1.98 4.97 -3.78 1 3 0 27 274.408 4 ↓
Lo Low (pH 4.5-6) 1.98 8.47 -106.46 3 3 2 29 276.424 4 ↓

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Rings

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

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