UCSF

ZINC00750357

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 31 Yes

Popular Name: 2-[[4-chloro-6-[(3R)-4-(cyclopropanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-(4-pyridylm 2-[[4-chloro-6-[(3R)-4-(cyclopro…

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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) 2.36 8.78 -15.05 1 8 0 91 460.991 7 ↓
Lo Low (pH 4.5-6) 2.36 9.23 -47.89 2 8 1 93 461.999 7 ↓

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

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