UCSF

ZINC41586254

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 No

Popular Name: ethyl ethyl

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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) 4.22 10.64 -50.69 2 6 1 81 428.53 6 ↓
Hi High (pH 8-9.5) 4.22 9.16 -44.99 0 6 -1 83 426.514 6 ↓
Mid Mid (pH 6-8) 4.22 8.4 -10.89 1 6 0 80 427.522 6 ↓
Mid Mid (pH 6-8) 4.22 11.4 -36.23 1 6 0 84 427.522 6 ↓

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Rings

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

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