UCSF

ZINC21800198

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 32 Yes

Popular Name: N-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]-4-pyrrol-1-yl-benzamide N-[2-(3-methoxypropyl)-3,4-dihyd…

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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) 2.65 9.4 -23.6 1 7 0 64 429.524 7 ↓
Mid Mid (pH 6-8) 2.65 9.81 -36.75 2 7 1 66 430.532 7 ↓
Mid Mid (pH 6-8) 2.65 11.71 -63.21 2 7 1 66 430.532 7 ↓
Lo Low (pH 4.5-6) 2.65 12.12 -117.96 3 7 2 67 431.54 7 ↓

Activity (Go SEA)

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