UCSF

ZINC52445069

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 15 Yes

Popular Name: (3R)-N3-cyclopentyl-N1-cyclopropyl-N3-methyl-butane-1,3-diamine (3R)-N3-cyclopentyl-N1-cycloprop…

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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) 2.49 7.54 -99.73 3 2 2 21 212.381 6 ↓
Hi High (pH 8-9.5) 2.49 6.25 -31.03 2 2 1 16 211.373 6 ↓

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

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