UCSF

ZINC67434455

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 28 No

Popular Name: (3S)-3-[(2-amino-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-5-yl)methyl]-3-hydroxy-1-[(3-methoxyphenyl)me (3S)-3-[(2-amino-6,7-dihydro-4H-…

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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) 1.41 3.72 -16.22 3 7 0 92 402.52 5 ↓
Mid Mid (pH 6-8) 1.41 5.59 -43.76 4 7 1 93 403.528 5 ↓
Lo Low (pH 4.5-6) 1.41 6.02 -97.92 5 7 2 94 404.536 5 ↓

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

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