UCSF

ZINC65506347

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 25 Yes

Popular Name: 2,7-dimethyl-N-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-5,6,8,9-tetrahydropyrimido[4 2,7-dimethyl-N-[(1R)-1-(4,5,6,7-…

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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) 2.58 10.23 -93.28 3 5 2 56 359.543 3 ↓
Hi High (pH 8-9.5) 2.58 7.7 -6.59 1 5 0 54 357.527 3 ↓
Mid Mid (pH 6-8) 2.58 9.81 -41.43 2 5 1 55 358.535 3 ↓

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

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