UCSF

ZINC71554099

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 29 Yes

Popular Name: ethyl ethyl

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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) 2.70 10.57 -47.13 2 7 1 77 417.486 5 ↓
Mid Mid (pH 6-8) 2.70 8.15 -11.14 1 7 0 76 416.478 5 ↓
Lo Low (pH 4.5-6) 2.70 11 -82.21 3 7 2 78 418.494 5 ↓

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Rings

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

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