UCSF

ZINC05823235

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 12 Yes

Popular Name: N-(3-pyridinylmethyl)-2-butanamine N-(3-pyridinylmethyl)-2-butanamine

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CAS Number: 869941-70-8

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) 1.47 4.86 -38.49 2 2 1 29 165.26 4 ↓
Lo Low (pH 4.5-6) 1.47 5.14 -97.43 3 2 2 31 166.268 4 ↓

Activity (Go SEA)

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