UCSF

ZINC01542906

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 22 Yes

Popular Name: Ibopamine Ibopamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 66195-31-1 , 75011-65-3 , [75011-65-3]

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) 2.36 3.93 -51.09 2 5 1 69 308.398 9 ↓
Hi High (pH 8-9.5) 1.28 7 -21.04 5 10 0 153 486.511 5 ↓

Activity (Go SEA)

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