UCSF

ZINC52573142

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 18 Yes

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

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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) 1.06 1.45 -46.29 3 4 1 53 268.406 3 ↓
Mid Mid (pH 6-8) 1.06 3.69 -96.56 4 4 2 54 269.414 3 ↓
Mid Mid (pH 6-8) 1.06 1.04 -6.19 2 4 0 51 267.398 3 ↓

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Rings

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

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