UCSF

ZINC37174625

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 No

Popular Name: (3R)-N-[(1S,5R)-1-(aminomethyl)-3,3,5-trimethyl-cyclohexyl]-N-methyl-tetrahydrothiophen-3-amine (3R)-N-[(1S,5R)-1-(aminomethyl)-…

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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) 2.43 7.26 -54.51 3 2 1 31 271.494 3 ↓
Mid Mid (pH 6-8) 2.43 7.38 -58.72 4 2 0 32 272.502 3 ↓

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

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