UCSF

ZINC62994323

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 17 Yes

Popular Name: (3R)-1-(cyclopentanecarboximidoyl)-N,N-diethyl-pyrrolidin-3-amine (3R)-1-(cyclopentanecarboximidoy…

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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) 2.70 7.84 -88.69 3 3 2 33 239.407 5 ↓
Hi High (pH 8-9.5) 2.70 5.74 -26.52 2 3 1 32 238.399 5 ↓

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

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