UCSF

ZINC08439973

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 34 No

Popular Name: 2-imino-10-methyl-5-oxo-N-(3-pyridinylmethyl)-1-(4-pyridinylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide 2-imino-10-methyl-5-oxo-N-(3-pyr…

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Other Names:

MFCD03837888

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) -2.40 10.33 -35.33 3 9 1 119 452.498 5 ↓
Lo Low (pH 4.5-6) 0.08 -1.59 -79.1 4 9 2 121 453.506 5 ↓
Lo Low (pH 4.5-6) 0.08 -1.48 -142.43 5 9 3 122 454.514 5 ↓
Lo Low (pH 4.5-6) -2.40 10.77 -90.86 4 9 2 120 453.506 5 ↓

Activity (Go SEA)

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