UCSF

ZINC52444835

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 17 Yes

Popular Name: N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclopentanamine N-methyl-N-[2-[4-(methylaminomet…

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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) 1.08 5.6 -94.89 3 5 2 52 239.367 6 ↓
Hi High (pH 8-9.5) 1.08 4.15 -43.56 2 5 1 47 238.359 6 ↓

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

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