UCSF

ZINC52482847

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 21 No

Popular Name: (3S)-N-[2-[4-[(isopropylamino)methyl]triazol-1-yl]ethyl]-N-methyl-1,1-dioxo-thiolan-3-amine (3S)-N-[2-[4-[(isopropylamino)me…

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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) -0.13 2.92 -117.37 3 7 2 86 317.459 7 ↓
Hi High (pH 8-9.5) -0.13 -0.77 -16.13 1 7 0 80 315.443 7 ↓
Mid Mid (pH 6-8) -0.13 0.45 -51.64 2 7 1 85 316.451 7 ↓

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

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