UCSF

ZINC52503562

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 18 Yes

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

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Download: MOL2 SDF SMILES Flexibase

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) 0.60 1.56 -50.5 3 5 1 62 264.275 7 ↓
Hi High (pH 8-9.5) 0.60 1.16 -12.02 2 5 0 60 263.267 7 ↓
Mid Mid (pH 6-8) 0.60 3.57 -102.35 4 5 2 63 265.283 7 ↓

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

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