UCSF

ZINC53930088

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 19 Yes

Popular Name: (2R)-2-[[methyl(o-tolylmethyl)amino]methyl]cycloheptanone (2R)-2-[[methyl(o-tolylmethyl)am…

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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) 3.60 10.4 -37.47 1 2 1 22 260.401 4 ↓
Mid Mid (pH 6-8) 3.60 8.2 -6.13 0 2 0 20 259.393 4 ↓

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

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