UCSF

ZINC32511794

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2009 21 Yes

Popular Name: (3S)-1-ethyl-3-[4-(1-piperidylmethyl)-1-piperidyl]piperidine (3S)-1-ethyl-3-[4-(1-piperidylme…

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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) 2.85 9.94 -76.79 2 3 2 12 295.515 4 ↓
Hi High (pH 8-9.5) 2.85 7.42 -33.22 1 3 1 11 294.507 4 ↓
Mid Mid (pH 6-8) 2.85 12.15 -178.85 3 3 3 13 296.523 4 ↓
Mid Mid (pH 6-8) 2.85 9.82 -95.17 2 3 2 12 295.515 4 ↓

Activity (Go SEA)

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