UCSF

ZINC67743740

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 27 Yes

Popular Name: 2-[[(4S)-4-(5-methyl-2-furyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]quinolin-8-ol 2-[[(4S)-4-(5-methyl-2-furyl)-1,…

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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) 2.71 6.27 -41.85 3 6 1 79 361.425 3 ↓
Hi High (pH 8-9.5) 2.71 5.79 -18.78 2 6 0 78 360.417 3 ↓
Mid Mid (pH 6-8) 2.71 7.96 -42.36 3 6 1 79 361.425 3 ↓
Lo Low (pH 4.5-6) 2.71 8.42 -103.72 4 6 2 81 362.433 3 ↓
Lo Low (pH 4.5-6) 2.71 7.05 -78.95 4 6 2 81 362.433 3 ↓

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

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