UCSF

ZINC53425521

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 18 Yes

Popular Name: 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(2-thienylmethyl)ethanamine 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexah…

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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) 2.15 4.67 -42.89 2 3 1 29 267.418 5 ↓
Mid Mid (pH 6-8) 2.15 3.31 -3.51 1 3 0 24 266.41 5 ↓
Lo Low (pH 4.5-6) 2.15 5.42 -37.21 2 3 1 26 267.418 5 ↓
Lo Low (pH 4.5-6) 2.15 6.75 -123.63 3 3 2 30 268.426 5 ↓

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Rings

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

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