UCSF

ZINC49543640

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 28 Yes

Popular Name: 4-methoxy-3-[[(4S)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carbonyl]amino]benzoic 4-methoxy-3-[[(4S)-2-oxo-3,4-dih…

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) 2.00 6 -135.59 1 9 -2 132 378.344 4 ↓
Mid Mid (pH 6-8) 1.99 6.68 -65.74 2 9 -1 129 379.352 4 ↓
Lo Low (pH 4.5-6) 2.00 5.73 -69.74 3 9 0 130 380.36 4 ↓
Lo Low (pH 4.5-6) 1.99 7.81 -69.73 3 9 0 130 380.36 4 ↓

Activity (Go SEA)

Rings

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

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