UCSF

ZINC13989665

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 29 Yes

Popular Name: 1-(2-methoxy-7-methyl-3-quinolyl)-N-(3-pyridylmethyl)-N-(4-pyridylmethyl)methanamine 1-(2-methoxy-7-methyl-3-quinolyl…

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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) 2.77 7.21 -10.2 0 5 0 51 384.483 7 ↓
Lo Low (pH 4.5-6) 2.77 10.53 -109.52 2 5 2 54 386.499 7 ↓
Lo Low (pH 4.5-6) 2.77 10.12 -110.11 2 5 2 54 386.499 7 ↓
Lo Low (pH 4.5-6) 2.77 10.81 -190.28 3 5 3 55 387.507 7 ↓
Lo Low (pH 4.5-6) 2.77 10.13 -120.82 2 5 2 54 386.499 7 ↓
Lo Low (pH 4.5-6) 2.77 10.83 -196 3 5 3 55 387.507 7 ↓
Lo Low (pH 4.5-6) 2.77 10.41 -197.69 3 5 3 55 387.507 7 ↓

Activity (Go SEA)

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