UCSF

ZINC21992959

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 25 No

Popular Name: 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-methanesulfonate(ester),; (2R,4R)-rel- 1,3-Dioxolane-4-methanol, 2-(2,4…

Find On: PubMed — Wikipedia — Google

CAS Number: 67914-86-7

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) 2.24 7.76 -18.29 0 7 0 83 406.291 6 ↓

Activity (Go SEA)

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