UCSF

ZINC00000404

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 20 Yes

Popular Name: Isothipendyl Isothipendyl

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1225-60-1 , 482-15-5

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) 3.54 1.61 -39.61 1 3 1 22 286.424 3 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.40e-01 g/l DrugBank-approved

Activity (Go SEA)

Rings

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