UCSF

ZINC52540265

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 18 Yes

Popular Name: [1-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]triazol-4-yl]methana [1-[2-[(4aS,7aS)-3,4a,5,6,7,7a-h…

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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) 0.03 0.03 -50.09 3 6 1 71 252.342 4 ↓
Hi High (pH 8-9.5) 0.03 -0.37 -9.24 2 6 0 69 251.334 4 ↓
Mid Mid (pH 6-8) 0.03 2.25 -102.95 4 6 2 72 253.35 4 ↓

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

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