UCSF

ZINC13425247

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 33 No

Popular Name: (5S,7S)-5-(3-methoxyphenyl)-N-(3-morpholinopropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1, (5S,7S)-5-(3-methoxyphenyl)-N-(3…

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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) 2.29 4.23 -13.29 2 8 0 81 467.492 8 ↓
Mid Mid (pH 6-8) 2.47 4.15 -12.04 2 8 0 84 467.492 8 ↓
Mid Mid (pH 6-8) 2.47 7.21 -93.97 4 8 2 87 469.508 8 ↓
Mid Mid (pH 6-8) 2.29 6.5 -48.74 3 8 1 82 468.5 8 ↓

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Rings

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

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