UCSF

ZINC39375630

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 12 Yes

Popular Name: (2R)-N'-methyl-2-phenyl-propane-1,3-diamine (2R)-N'-methyl-2-phenyl-propane-…

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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) 0.97 2.99 -116.69 5 2 2 44 166.268 4 ↓
Mid Mid (pH 6-8) 0.97 2.64 -41.06 4 2 1 43 165.26 4 ↓
Mid Mid (pH 6-8) 0.97 1.75 -39.57 4 2 1 40 165.26 4 ↓

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