UCSF

ZINC41681602

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 Yes

Popular Name: N-[[(2S)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methyl]-N',N'-dimethyl-N-propyl-ethane-1,2-diamine N-[[(2S)-3,4-dihydro-2H-1,4-benz…

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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) 2.59 5.91 -36.71 2 4 1 29 278.42 7 ↓
Hi High (pH 8-9.5) 2.59 5.59 -36.55 2 4 1 29 278.42 7 ↓
Hi High (pH 8-9.5) 2.59 3.43 -5.32 1 4 0 28 277.412 7 ↓
Lo Low (pH 4.5-6) 2.59 8.05 -109.92 3 4 2 30 279.428 7 ↓

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Rings

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