UCSF

ZINC69490282

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 22 Yes

Popular Name: (2S)-1-benzyloxy-3-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-2-ol (2S)-1-benzyloxy-3-(1-methyl-6,7…

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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) 0.41 5.74 -35.07 2 5 1 52 302.398 6 ↓
Hi High (pH 8-9.5) 0.41 5.28 -12.25 1 5 0 51 301.39 6 ↓
Mid Mid (pH 6-8) 0.41 8 -100.94 3 5 2 53 303.406 6 ↓
Lo Low (pH 4.5-6) 0.41 7.53 -42.12 2 5 1 52 302.398 6 ↓

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Rings

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

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