UCSF

ZINC62802809

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 19 Yes

Popular Name: (2S)-1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazol-2-yl]propan-2-amine (2S)-1-[1-(imidazo[1,2-a]pyridin…

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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) 0.68 6.87 -40.41 3 5 1 63 256.333 4 ↓
Hi High (pH 8-9.5) 0.68 6.51 -13.84 2 5 0 61 255.325 4 ↓
Mid Mid (pH 6-8) 0.68 7.33 -101.89 4 5 2 64 257.341 4 ↓
Lo Low (pH 4.5-6) 0.68 7.57 -181.11 5 5 3 65 258.349 4 ↓

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

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