UCSF

ZINC12341321

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2008 13 Yes

Popular Name: 2,2'-Dipyridylamine 2,2'-Dipyridylamine

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CAS Number: 1202-34-2

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) 2.13 6.42 -8.83 1 3 0 38 171.203 2 ↓
Mid Mid (pH 6-8) 2.13 6.41 -29.17 2 3 1 39 172.211 2 ↓
Lo Low (pH 4.5-6) 2.13 5.72 -85.12 3 3 2 40 173.219 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 178 / 13 TCI
purity 9.500000000000000e+001 Enamine Building Blocks
MP 94 TCI
purity 95 Enamine Building Blocks
MP 95 - 97 Enamine Building Blocks
Purity 95% Fluorochem
MP 95...97 Enamine Building Blocks

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

No pre-computed analogs available. Try a structural similarity search.