UCSF

ZINC30678442

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 18 Yes

Popular Name: (2-benzylisoindolin-4-yl)methanamine (2-benzylisoindolin-4-yl)methana…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 127169-00-0 , [127169-00-0]

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) 1.86 7.69 -115.91 4 2 2 32 240.35 3 ↓
Hi High (pH 8-9.5) 1.86 7.31 -40.76 3 2 1 30 239.342 3 ↓
Hi High (pH 8-9.5) 1.86 5.18 -48.56 3 2 1 31 239.342 3 ↓
Hi High (pH 8-9.5) 1.86 4.8 -4.46 2 2 0 29 238.334 3 ↓
Hi High (pH 8-9.5) 4.29 6.45 -5.28 0 1 0 13 254.102 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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