UCSF

ZINC13223116

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 22 Yes

Popular Name: 1-phenyl-N,N-bis(2-pyridylmethyl)methanamine 1-phenyl-N,N-bis(2-pyridylmethyl…

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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) 2.20 7.91 -6.66 0 3 0 29 289.382 6 ↓
Mid Mid (pH 6-8) 2.20 8.7 -32.63 1 3 1 30 290.39 6 ↓
Lo Low (pH 4.5-6) 2.20 11.05 -103.77 2 3 2 31 291.398 6 ↓
Lo Low (pH 4.5-6) 2.20 9.04 -83.22 2 3 2 32 291.398 6 ↓

Activity (Go SEA)

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