UCSF

ZINC52424252

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 18 Yes

Popular Name: N-methyl-1-[1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazol-4-yl]methanamine N-methyl-1-[1-[2-(4-methyl-1,4-d…

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Vendors

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) -0.16 5.46 -181.7 4 6 3 56 255.39 5 ↓
Hi High (pH 8-9.5) -0.16 3.64 -86.67 3 6 2 55 254.382 5 ↓
Hi High (pH 8-9.5) -0.16 3.04 -93.12 3 6 2 55 254.382 5 ↓
Hi High (pH 8-9.5) -0.16 1.1 -42 2 6 1 54 253.374 5 ↓

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

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