UCSF

ZINC36108496

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 23 Yes

Popular Name: 2-[(1R)-2-amino-1-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]ethyl]-6-methoxy-phenol 2-[(1R)-2-amino-1-[(1R,5S)-3,3,5…

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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) 2.57 3.99 -48.47 4 4 1 60 319.469 4 ↓
Hi High (pH 8-9.5) 2.57 5.33 -30.25 4 4 1 60 319.469 4 ↓
Hi High (pH 8-9.5) 2.57 6.2 -37.47 3 4 0 63 318.461 4 ↓

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

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