UCSF

ZINC00020783

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 16 Yes

Popular Name: Tapentadol Tapentadol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 175591-09-0 , 175591-23-8

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) 3.53 1.62 -36.05 2 2 1 24 222.352 5 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 7.80e-01 g/l DrugBank-approved

Activity (Go SEA)

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