UCSF

ZINC13011912

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 34 No

Popular Name: ethyl ethyl

Find On: PubMed — Wikipedia — Google

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) 2.95 8.78 -49.75 3 8 -1 119 495.606 6 ↓
Mid Mid (pH 6-8) 3.15 9.32 -19.03 4 8 0 112 496.614 6 ↓
Mid Mid (pH 6-8) 3.19 8.79 -55.64 3 8 -1 113 495.606 6 ↓

Activity (Go SEA)

Rings

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