UCSF

ZINC12341246

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2008 15 Yes

Popular Name: 4-methyl-N-(3-pyridylmethyl)aniline 4-methyl-N-(3-pyridylmethyl)aniline

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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) 2.41 5.99 -4.57 1 2 0 25 198.269 3 ↓
Lo Low (pH 4.5-6) 2.41 6.46 -35.04 2 2 1 26 199.277 3 ↓

Activity (Go SEA)

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