UCSF

ZINC62038973

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 33 No

Popular Name: isobutyl isobutyl

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Annotations

None

Vendors

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) 4.26 6.26 -24.21 3 11 0 167 492.535 9 ↓
Hi High (pH 8-9.5) 4.72 5.82 -83.07 1 11 -2 173 490.519 9 ↓
Mid Mid (pH 6-8) 4.72 5.05 -46.99 2 11 -1 170 491.527 9 ↓

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Rings

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

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