UCSF

ZINC71554509

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 30 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) 1.76 7.11 -76.5 2 9 0 114 427.486 6 ↓
Mid Mid (pH 6-8) 1.30 6.54 -10.81 2 9 0 109 427.486 6 ↓
Mid Mid (pH 6-8) 1.30 8.96 -49.07 3 9 1 111 428.494 6 ↓
Mid Mid (pH 6-8) 1.76 4.7 -49.69 1 9 -1 112 426.478 6 ↓

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Rings

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

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