UCSF

ZINC67946667

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 27 Yes

Popular Name: propyl propyl

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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) 3.46 9.92 -43.01 1 5 1 37 372.533 4 ↓
Mid Mid (pH 6-8) 3.46 8.24 -6.31 0 5 0 36 371.525 4 ↓
Mid Mid (pH 6-8) 3.46 10.27 -43.38 1 5 1 37 372.533 4 ↓

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Rings

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

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