UCSF

ZINC05819726

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 13 Yes

Popular Name: 1,3-Propanediol, 2-(1-ethylpropyl)-2-propyl-; 2-(1-Ethylpropyl)-2-propyl-1,3-propanediol; LS-120457 1,3-Propanediol, 2-(1-ethylpropy…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.68 1.69 -3.82 2 2 0 40 188.311 7 ↓

Activity (Go SEA)

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