UCSF

ZINC43425005

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 Yes

Popular Name: (2S)-1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-3-(propylamino)propan-2- (2S)-1-[(4aS,7aS)-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) 0.74 0.74 -41.06 3 4 1 49 243.371 6 ↓
Hi High (pH 8-9.5) 0.74 -0.61 -3.74 2 4 0 45 242.363 6 ↓
Mid Mid (pH 6-8) 0.74 3.06 -104.94 4 4 2 51 244.379 6 ↓

Activity (Go SEA)

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