UCSF

ZINC19834759

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 Yes

Popular Name: 2-(3-aminopropyl-methyl-amino)-N-phenyl-acetamide 2-(3-aminopropyl-methyl-amino)-N…

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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) 0.59 1.43 -51.17 4 4 1 60 222.312 6 ↓
Hi High (pH 8-9.5) 0.59 3.39 -42.36 4 4 1 60 222.312 6 ↓
Hi High (pH 8-9.5) 0.59 1.06 -11.35 3 4 0 58 221.304 6 ↓
Mid Mid (pH 6-8) 0.59 3.77 -112.48 5 4 2 61 223.32 6 ↓

Activity (Go SEA)

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