UCSF

ZINC49342081

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 18 Yes

Popular Name: 5-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-1,2-dihydro-1,2,4-triazol-3 5-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-o…

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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) 0.27 -0.59 -44.39 1 7 -1 94 251.266 1 ↓
Lo Low (pH 4.5-6) -0.19 1.2 -9.95 2 7 0 91 252.274 1 ↓
Lo Low (pH 4.5-6) 0.27 -0.39 -19.98 2 7 0 95 252.274 1 ↓

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

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