UCSF

ZINC43984827

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Substance Information

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

Popular Name: (3R,4S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methyl-chroman-4-am (3R,4S)-3-[(4aS,7aS)-3,4a,5,6,7,…

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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) 2.30 5.83 -42.2 2 4 1 38 289.399 2 ↓
Hi High (pH 8-9.5) 2.30 2.53 -3.9 1 4 0 34 288.391 2 ↓
Lo Low (pH 4.5-6) 2.30 5.92 -123.31 3 4 2 40 290.407 2 ↓

Activity (Go SEA)

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