UCSF

ZINC71389238

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2011 42 No

Popular Name: propyl propyl

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Annotations

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Vendors

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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) 6.07 12.41 -38.29 2 9 1 107 584.571 10 ↓
Hi High (pH 8-9.5) 6.07 12.9 -40.29 0 9 -1 108 582.555 10 ↓
Mid Mid (pH 6-8) 6.07 14.64 -110.56 3 9 2 108 585.579 10 ↓
Mid Mid (pH 6-8) 6.07 14.36 -53.54 2 9 1 107 584.571 10 ↓
Mid Mid (pH 6-8) 6.07 12.13 -12.96 1 9 0 105 583.563 10 ↓

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Rings

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

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