UCSF

ZINC65525855

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 22 Yes

Popular Name: (2S,3S)-3-[(3aR,4R)-4,5,6,7-tetrahydro-3aH-imidazo[4,5-c]pyridin-4-yl]-5-methyl-indoline-2-carboxyli (2S,3S)-3-[(3aR,4R)-4,5,6,7-tetr…

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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) -0.35 6.53 -34.8 4 6 0 94 298.346 2 ↓
Hi High (pH 8-9.5) -0.35 6.07 -45.17 3 6 -1 93 297.338 2 ↓
Mid Mid (pH 6-8) -0.35 5.6 -29.08 4 6 0 97 298.346 2 ↓
Lo Low (pH 4.5-6) -0.35 6.06 -47.05 5 6 1 99 299.354 2 ↓

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

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