UCSF

ZINC67472827

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 24 Yes

Popular Name: 2,3-dimethyl-7-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-one 2,3-dimethyl-7-(1H-pyrrolo[2,3-c…

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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) 1.23 5.91 -39.61 2 6 1 68 324.408 2 ↓
Hi High (pH 8-9.5) 1.23 5.98 -15.32 1 6 0 67 323.4 2 ↓
Lo Low (pH 4.5-6) 1.23 7.93 -111.57 3 6 2 69 325.416 2 ↓

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

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