UCSF

ZINC49539762

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 30 No

Popular Name: N-(2-chlorophenyl)-2-[[4-imino-3-methyl-5-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetam N-(2-chlorophenyl)-2-[[4-imino-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) 0.65 10.89 -32.52 4 7 1 101 439.952 5 ↓
Mid Mid (pH 6-8) 0.65 10.73 -28.32 4 7 1 101 439.952 5 ↓
Mid Mid (pH 6-8) 2.92 10.84 -12.64 3 7 0 99 438.944 5 ↓
Mid Mid (pH 6-8) 2.92 10.86 -13.91 3 7 0 99 438.944 5 ↓
Mid Mid (pH 6-8) 2.92 10.78 -10.82 3 7 0 99 438.944 5 ↓
Mid Mid (pH 6-8) 2.92 10.8 -11.29 3 7 0 99 438.944 5 ↓

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

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