UCSF

ZINC63944491

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 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) 1.23 7.31 -42.94 2 8 1 88 400.503 7 ↓
Hi High (pH 8-9.5) 1.23 4.93 -8.42 1 8 0 87 399.495 7 ↓
Mid Mid (pH 6-8) 1.23 5.26 -36.76 2 8 1 88 400.503 7 ↓
Lo Low (pH 4.5-6) 1.23 7.63 -99.86 3 8 2 90 401.511 7 ↓

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Rings

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

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