UCSF

ZINC22095921

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 25 Yes

Popular Name: 3-[[4-[[[(2S)-2-dimethylamino-2-phenyl-ethyl]amino]methyl]phenyl]-methyl-amino]propanenitrile 3-[[4-[[[(2S)-2-dimethylamino-2-…

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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) 2.67 10.65 -41.67 2 4 1 43 337.491 9 ↓
Hi High (pH 8-9.5) 2.67 8.34 -7.53 1 4 0 42 336.483 9 ↓
Mid Mid (pH 6-8) 2.67 10.25 -47.14 2 4 1 47 337.491 9 ↓

Activity (Go SEA)

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