UCSF

ZINC62788951

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 20 Yes

Popular Name: 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-4-chloro-benzamidine 2-[(4aS,8aS)-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) 2.27 5.53 -35.31 4 4 1 64 294.806 2 ↓
Hi High (pH 8-9.5) 2.27 6.49 -4.69 3 4 0 62 293.798 2 ↓

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

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