UCSF

ZINC55025431

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 21 No

Popular Name: (3R)-3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-phenyl-propanethioamide (3R)-3-[(4aS,8aS)-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) 2.34 5.47 -7.84 2 3 0 38 304.459 4 ↓
Lo Low (pH 4.5-6) 2.34 7.18 -31.95 3 3 1 40 305.467 4 ↓

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

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