UCSF

ZINC52574573

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 16 Yes

Popular Name: N-[(2R)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methyl-butyl]cyclopropanamine N-[(2R)-2-(3,5-dimethyl-1,2,4-tr…

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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) 0.90 7.37 -41.06 2 4 1 47 223.344 5 ↓
Lo Low (pH 4.5-6) 0.90 7.8 -95.37 3 4 2 49 224.352 5 ↓

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

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