UCSF

ZINC67935060

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 21 Yes

Popular Name: [(2S)-7-chloro-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methanamine [(2S)-7-chloro-5-(7H-pyrrolo[2,3…

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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) 1.65 5.59 -52.84 4 5 1 78 301.757 2 ↓
Hi High (pH 8-9.5) 1.65 5.17 -10.94 3 5 0 77 300.749 2 ↓

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

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