UCSF

ZINC33756146

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 14 No

Popular Name: 1,3-Propanediol, 2-(hydroxymethyl)-2-pentyl-, cyclic phosphate (1:1); 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-pentyl-, 1-oxide; 2-(Hydroxymethyl)-2-pentyl-1,3-propanediol, cyclic phosphate (1:1); BRN 1965602; LS-120505 1,3-Propanediol, 2-(hydroxymethy…

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) 1.81 5.07 -12.82 0 4 0 45 220.205 4 ↓

Activity (Go SEA)

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