UCSF

ZINC00056625

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 14 Yes

Popular Name: Metanephrine Metanephrine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5001-33-2 , 5090-31-3 , 881-95-8 , [881-95-8]

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) 0.25 -0.73 -45.77 4 4 1 66 198.242 4 ↓
Hi High (pH 8-9.5) 0.25 -2.19 -6.79 3 4 0 62 197.234 4 ↓

Activity (Go SEA)

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