UCSF

ZINC62982296

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 4-[(3S)-1-[(4-bromo-2-thienyl)methyl]pyrrolidin-3-yl]morpholine 4-[(3S)-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) 2.37 3.21 -3.32 0 3 0 16 331.279 3 ↓
Mid Mid (pH 6-8) 2.37 5.72 -39.63 1 3 1 17 332.287 3 ↓
Mid Mid (pH 6-8) 2.37 5.42 -38.13 1 3 1 17 332.287 3 ↓

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

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