UCSF

ZINC58315920

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 21 Yes

Popular Name: (1S)-1-(3-chloro-4-fluoro-phenyl)-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]et (1S)-1-(3-chloro-4-fluoro-phenyl…

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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) 3.11 7.11 -62.8 3 4 1 46 309.796 4 ↓
Hi High (pH 8-9.5) 3.11 6.16 -8.65 2 4 0 42 308.788 4 ↓
Mid Mid (pH 6-8) 3.11 7.27 -109.9 4 4 2 48 310.804 4 ↓

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

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