UCSF

ZINC62954019

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 14 Yes

Popular Name: 4-ethyl-4-methyl-1-[(3S)-pyrrolidin-3-yl]piperidine 4-ethyl-4-methyl-1-[(3S)-pyrroli…

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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) 2.14 6.13 -107.23 3 2 2 21 198.354 2 ↓
Hi High (pH 8-9.5) 2.14 2.55 -1.1 1 2 0 15 196.338 2 ↓
Hi High (pH 8-9.5) 2.14 3.94 -36.69 2 2 1 20 197.346 2 ↓
Mid Mid (pH 6-8) 2.14 4.71 -31.35 2 2 1 16 197.346 2 ↓

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

No pre-computed analogs available. Try a structural similarity search.