UCSF

ZINC53619365

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 23 Yes

Popular Name: 3-[2-(1H-imidazol-5-yl)ethyl]-5,8-dimethyl-1,2-dihydropyrimido[5,4-b]indol-4-one 3-[2-(1H-imidazol-5-yl)ethyl]-5,…

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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) 2.00 8.23 -42.68 3 6 1 67 310.381 3 ↓
Mid Mid (pH 6-8) 2.00 7.76 -18.56 2 6 0 66 309.373 3 ↓

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

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