UCSF

ZINC69872248

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 20 Yes

Popular Name: 4-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine 4-[(2S)-2-(1,2,4-triazol-1-ylmet…

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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) 0.32 9.46 -14.66 1 7 0 76 269.312 3 ↓
Lo Low (pH 4.5-6) 0.32 9.93 -35.86 2 7 1 77 270.32 3 ↓

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

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