UCSF

ZINC52503554

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 20 Yes

Popular Name: N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine N-[2-[4-(ethylaminomethyl)triazo…

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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) 1.35 4.29 -44.64 2 5 1 51 292.329 9 ↓
Hi High (pH 8-9.5) 1.35 2.91 -9.54 1 5 0 46 291.321 9 ↓
Mid Mid (pH 6-8) 1.35 6.3 -97.5 3 5 2 52 293.337 9 ↓

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

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