UCSF

ZINC69837898

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 14 Yes

Popular Name: (2R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)butan-2-amine (2R)-4-(3H-imidazo[4,5-c]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) 0.10 1.79 -51.53 4 4 1 69 191.258 3 ↓
Hi High (pH 8-9.5) 0.10 1.29 -53.28 3 4 0 68 190.25 3 ↓
Mid Mid (pH 6-8) 0.10 2.17 -107.64 5 4 2 70 192.266 3 ↓
Lo Low (pH 4.5-6) 0.10 2.66 -182.68 6 4 3 72 193.274 3 ↓
Lo Low (pH 4.5-6) 0.10 2.24 -89.81 5 4 2 70 192.266 3 ↓

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

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