UCSF

ZINC43428139

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 Yes

Popular Name: (2S)-2-[[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]methyl]-3,4-dihydro-2H-1,4-be (2S)-2-[[(4aS,8aS)-2,3,4a,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) 2.92 4.19 -6.03 1 4 0 34 288.391 2 ↓
Mid Mid (pH 6-8) 2.92 6.48 -36.09 2 4 1 35 289.399 2 ↓

Activity (Go SEA)

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