UCSF

ZINC69870498

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 22 Yes

Popular Name: 4-methyl-2-[(2S)-2-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thiazole 4-methyl-2-[(2S)-2-methyl-4-(7H-…

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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) 1.97 9.24 -9.35 1 6 0 61 314.418 2 ↓
Mid Mid (pH 6-8) 1.97 8.67 -30.91 2 6 1 62 315.426 2 ↓
Lo Low (pH 4.5-6) 1.97 9.14 -69.26 3 6 2 63 316.434 2 ↓

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

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