UCSF

ZINC69137899

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 18 No

Popular Name: N-cyclopentyl-N'-[(3S)-1,1-dioxothian-3-yl]-N-methyl-ethane-1,2-diamine N-cyclopentyl-N'-[(3S)-1,1-dioxo…

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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) 1.32 3.36 -46.1 2 4 1 51 275.438 5 ↓
Hi High (pH 8-9.5) 1.32 1.09 -10.82 1 4 0 49 274.43 5 ↓
Mid Mid (pH 6-8) 1.32 4.53 -137.1 3 4 2 55 276.446 5 ↓
Mid Mid (pH 6-8) 1.32 2.25 -55.05 2 4 1 54 275.438 5 ↓

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Rings

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

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