UCSF

ZINC36154561

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 25 Yes

Popular Name: isopropyl isopropyl

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Annotations

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) 3.50 8.44 -60.05 3 6 1 89 364.491 6 ↓
Hi High (pH 8-9.5) 3.50 6.66 -20.13 2 6 0 84 363.483 6 ↓
Mid Mid (pH 6-8) 3.96 6.03 -44.02 2 6 0 92 363.483 6 ↓

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Rings

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

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