UCSF

ZINC53376965

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 17 Yes

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

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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) 2.23 7.19 -111.37 3 3 2 30 242.407 6 ↓
Hi High (pH 8-9.5) 2.23 3.68 -2.37 1 3 0 24 240.391 6 ↓
Mid Mid (pH 6-8) 2.23 5.93 -34.08 2 3 1 26 241.399 6 ↓
Mid Mid (pH 6-8) 2.23 4.92 -34.6 2 3 1 29 241.399 6 ↓

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Rings

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

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