UCSF

ZINC62461402

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 19 Yes

Popular Name: (2S)-4-[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(cyclopropylamino)buta (2S)-4-[(4aR,7aR)-3,4a,5,6,7,7a-…

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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) 0.77 -0.29 -7.53 3 5 0 68 267.373 6 ↓
Mid Mid (pH 6-8) 0.77 0.63 -39.93 4 5 1 72 268.381 6 ↓
Mid Mid (pH 6-8) 0.77 1.93 -42.5 4 5 1 69 268.381 6 ↓
Lo Low (pH 4.5-6) 0.77 2.85 -116.29 5 5 2 73 269.389 6 ↓

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Rings

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

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