UCSF

ZINC53941061

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 20 Yes

Popular Name: (1S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-(3-bromophenyl)propan- (1S)-3-[(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) 1.24 4.51 -4.16 2 3 0 38 339.277 4 ↓
Mid Mid (pH 6-8) 1.24 4.86 -50.22 3 3 1 40 340.285 4 ↓
Lo Low (pH 4.5-6) 1.24 7.08 -126.68 4 3 2 41 341.293 4 ↓
Lo Low (pH 4.5-6) 1.24 6.74 -38.99 3 3 1 40 340.285 4 ↓

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

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