UCSF

ZINC53381903

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

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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) 1.93 5.39 -31.42 2 3 1 26 241.399 7 ↓
Hi High (pH 8-9.5) 1.93 3.3 -2.59 1 3 0 24 240.391 7 ↓
Mid Mid (pH 6-8) 1.93 4.73 -36.34 2 3 1 29 241.399 7 ↓
Mid Mid (pH 6-8) 1.93 6.82 -109.14 3 3 2 30 242.407 7 ↓

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Rings

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

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