UCSF

ZINC01599309

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 Yes

Popular Name: 2-BUTYL-2-ETHYL-1,3-PROPANEDIOL 2-BUTYL-2-ETHYL-1,3-PROPANEDIOL

Find On: PubMed — Wikipedia — Google

CAS Numbers: 115-84-4 , [115-84-4]

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 0.23 -4.34 2 2 0 40 160.257 6 ↓

Vendor Notes

Note Type Comments Provided By
MP 43 TCI

Activity (Go SEA)

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