UCSF

ZINC36104787

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 28 Yes

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) 3.80 7.93 -56.83 0 7 -1 83 419.552 7 ↓
Mid Mid (pH 6-8) 3.80 7.22 -10.15 1 7 0 80 420.56 7 ↓
Lo Low (pH 4.5-6) 3.80 10.14 -43.32 1 7 0 84 420.56 7 ↓

Activity (Go SEA)

Rings

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