UCSF

ZINC10315433

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2007 18 Yes

Popular Name: N-(1-phenylbutyl)-N-(3-pyridinylmethyl)amine N-(1-phenylbutyl)-N-(3-pyridinyl…

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Other Names:

MFCD08757354

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) 2.38 0.34 -44.66 2 2 1 29 241.358 6 ↓
Lo Low (pH 4.5-6) 2.38 0.45 -108.4 3 2 2 30 242.366 6 ↓

Activity (Go SEA)

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