UCSF

ZINC62767789

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2011 17 Yes

Popular Name: N-butyl-N-cyclopropyl-N'-tetrahydropyran-4-yl-ethane-1,2-diamine N-butyl-N-cyclopropyl-N'-tetrahy…

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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) 2.31 7.14 -113.77 3 3 2 30 242.407 8 ↓
Hi High (pH 8-9.5) 2.31 3.64 -2.01 1 3 0 24 240.391 8 ↓
Mid Mid (pH 6-8) 2.31 5.06 -38.62 2 3 1 29 241.399 8 ↓
Mid Mid (pH 6-8) 2.31 5.96 -33.04 2 3 1 26 241.399 8 ↓

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

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