UCSF

ZINC62982271

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 18 Yes

Popular Name: 1-[(3R)-1-[(4-bromo-2-thienyl)methyl]pyrrolidin-3-yl]piperidine 1-[(3R)-1-[(4-bromo-2-thienyl)me…

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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) 3.43 7.91 -35.11 1 2 1 8 330.315 3 ↓
Hi High (pH 8-9.5) 3.43 5.77 -1.89 0 2 0 6 329.307 3 ↓

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

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