UCSF

ZINC36158432

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 Yes

Popular Name: 2-(4-amino-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl)-6-fluoro-benzonitrile 2-(4-amino-5,6-dimethyl-pyrrolo[…

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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) 2.13 9.22 -15.7 2 5 0 81 281.294 1 ↓
Mid Mid (pH 6-8) 2.13 9.69 -33.76 3 5 1 82 282.302 1 ↓

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

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