UCSF

ZINC64541131

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 29 Yes

Popular Name: (2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pr (2R)-2-amino-3-(4-chlorophenyl)-…

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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) 1.93 9.4 -53.85 4 7 1 93 413.933 4 ↓
Mid Mid (pH 6-8) 1.93 9.11 -12.26 3 7 0 91 412.925 4 ↓
Lo Low (pH 4.5-6) 1.93 9.86 -92.23 5 7 2 94 414.941 4 ↓

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

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