UCSF

ZINC19989980

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 31 No

Popular Name: 1-cycloheptyl-5-(1-{[2-(1H-indol-3-yl)ethyl]amino}propylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione 1-cycloheptyl-5-(1-{[2-(1H-indol…

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Other Names:

MFCD03713357

Download: MOL2 SDF SMILES Flexibase

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) 3.85 9.16 -9.69 3 7 0 100 422.529 6 ↓
Ref Reference (pH 7) 3.85 9.13 -9.74 3 7 0 100 422.529 6 ↓

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

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