UCSF

ZINC52573149

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 19 Yes

Popular Name: [1-[2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]ethyl]triazol-4-yl]methanamine [1-[2-[(4aS,8aR)-2,3,4a,5,6,7,8,…

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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) 0.54 0.7 -49.09 3 6 1 71 266.369 4 ↓
Hi High (pH 8-9.5) 0.54 0.3 -8.45 2 6 0 69 265.361 4 ↓
Mid Mid (pH 6-8) 0.54 2.88 -104.31 4 6 2 72 267.377 4 ↓

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

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