UCSF

ZINC05651105

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 16 No

Popular Name: Talbutal Talbutal

Find On: PubMed — Wikipedia — Google

CAS Number: 115-44-6

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) 1.52 1.05 -6.3 2 5 0 75 224.26 4 ↓
Hi High (pH 8-9.5) 1.38 -0.71 -36.51 1 5 -1 82 223.252 4 ↓
Hi High (pH 8-9.5) 0.82 -0.7 -34.92 1 5 -1 82 223.252 4 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.534 Bitter DB

Activity (Go SEA)

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