UCSF

ZINC69950866

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 35 Yes

Popular Name: N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2,4-dioxo-1-propyl-pyrido[2,3-d]pyrimidine-6-carboxami N-[[4-(benzimidazol-1-ylmethyl)p…

Find On: PubMed — Wikipedia — Google

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 11.02 -18.29 2 9 0 115 468.517 7 ↓
Mid Mid (pH 6-8) 2.86 8.52 -57.09 1 9 -1 118 467.509 7 ↓
Lo Low (pH 4.5-6) 2.40 11.51 -49.57 3 9 1 116 469.525 7 ↓

Activity (Go SEA)

Rings

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

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