UCSF

ZINC34592685

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 10 Yes

Popular Name: (E)-3-(3-pyridyl)prop-2-en-1-amine (E)-3-(3-pyridyl)prop-2-en-1-amine

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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) 0.05 2.06 -47.14 3 2 1 41 135.19 2 ↓
Hi High (pH 8-9.5) 0.05 1.66 -4.7 2 2 0 39 134.182 2 ↓
Lo Low (pH 4.5-6) 0.05 2.53 -92.96 4 2 2 42 136.198 2 ↓

Activity (Go SEA)

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