UCSF

ZINC62914792

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: [(3S)-3-ethylpyrrolidin-3-yl]BLAH [(3S)-3-ethylpyrrolidin-3-yl]BLAH

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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) 2.12 5.09 -48.2 3 5 1 64 288.371 2 ↓
Lo Low (pH 4.5-6) 2.12 4.31 -100.38 4 5 2 65 289.379 2 ↓

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

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