UCSF

ZINC69740172

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 24 Yes

Popular Name: 3-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-2H-benzo[e][1,2,4]thiadiazine 3-[[(2S)-2-(pyrazol-1-ylmethyl)p…

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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) 1.31 4.72 -24.3 1 7 0 80 345.428 4 ↓
Mid Mid (pH 6-8) 1.31 4.33 -50.33 0 7 -1 82 344.42 4 ↓
Lo Low (pH 4.5-6) 1.31 6.15 -37.84 1 7 0 83 345.428 4 ↓

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

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