UCSF

ZINC67433216

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 17 Yes

Popular Name: 4-[[(4S)-4-methyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]methyl]morpholine 4-[[(4S)-4-methyl-1,5,6,7-tetrah…

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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) 0.51 2.51 -35.2 3 5 1 54 237.327 2 ↓
Hi High (pH 8-9.5) 0.51 2.03 -7.35 2 5 0 53 236.319 2 ↓
Mid Mid (pH 6-8) 0.51 2.8 -98.35 4 5 2 59 238.335 2 ↓
Lo Low (pH 4.5-6) 0.51 4.58 -92 4 5 2 56 238.335 2 ↓

Activity (Go SEA)

Rings

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

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