UCSF

ZINC36790319

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 Yes

Popular Name: (1R)-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-N-[(1S)-1-methylbutyl]ethane-1,2-diamine (1R)-1-(5-chloro-2,3-dihydro-1,4…

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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) 2.81 5.87 -134.37 4 4 2 51 314.857 6 ↓
Hi High (pH 8-9.5) 2.81 6.95 -33.42 3 4 1 49 313.849 6 ↓
Mid Mid (pH 6-8) 2.81 5.07 -48.82 3 4 1 49 313.849 6 ↓

Activity (Go SEA)

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