UCSF

ZINC20128736

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Substance Information

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

Popular Name: 3-(1-piperidyl)-N-(3-thienylmethyl)propan-1-amine 3-(1-piperidyl)-N-(3-thienylmeth…

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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) 2.29 8.19 -107.81 3 2 2 21 240.416 6 ↓
Mid Mid (pH 6-8) 2.29 6.76 -34.11 2 2 1 16 239.408 6 ↓
Mid Mid (pH 6-8) 2.29 5.91 -41.74 2 2 1 20 239.408 6 ↓

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Rings

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