UCSF

ZINC55042666

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 23 Yes

Popular Name: (2S)-N-methyl-N-[(2-methylindazol-3-yl)methyl]-1-(4-methyl-2-pyridyl)propan-2-amine (2S)-N-methyl-N-[(2-methylindazo…

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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) 3.49 8.67 -10.27 0 4 0 34 308.429 5 ↓
Mid Mid (pH 6-8) 3.49 8.31 -38.92 1 4 1 35 309.437 5 ↓
Mid Mid (pH 6-8) 3.49 9.79 -47.34 1 4 1 35 309.437 5 ↓

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

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