UCSF

ZINC57291647

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 25 Yes

Popular Name: ethyl ethyl

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Download: MOL2 SDF SMILES Flexibase

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) 1.94 6.83 -50.75 0 7 -1 92 335.343 4 ↓
Hi High (pH 8-9.5) 1.23 8.26 -113.34 0 7 -2 94 334.335 3 ↓
Mid Mid (pH 6-8) 1.94 7.67 -17.08 1 7 0 89 336.351 4 ↓
Lo Low (pH 4.5-6) 1.94 7.65 -56.51 1 7 0 89 336.351 4 ↓

Activity (Go SEA)

Rings

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

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