UCSF

ZINC19454976

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 30 Yes

Popular Name: (3R,5S)-5-(3,4-dimethoxyphenyl)-N-(1-isopropylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3 (3R,5S)-5-(3,4-dimethoxyphenyl)-…

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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) 0.74 1.92 -24.04 2 10 0 115 437.522 6 ↓
Hi High (pH 8-9.5) 0.74 1.6 -51.3 1 10 -1 117 436.514 6 ↓
Mid Mid (pH 6-8) 0.74 0.89 -54.43 3 10 1 116 438.53 6 ↓
Mid Mid (pH 6-8) 0.74 0.57 -36.81 2 10 0 118 437.522 6 ↓

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Rings

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

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