UCSF

ZINC22916984

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 31 Yes

Popular Name: (2R)-N-(2,5-dimethylphenyl)-2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]propanamid (2R)-N-(2,5-dimethylphenyl)-2-[4…

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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) 2.94 7.93 -41.25 2 7 1 71 420.537 5 ↓
Hi High (pH 8-9.5) 2.94 7.48 -22.36 1 7 0 70 419.529 5 ↓
Mid Mid (pH 6-8) 2.94 10.29 -45.99 2 7 1 71 420.537 5 ↓
Lo Low (pH 4.5-6) 2.94 10.19 -96.87 3 7 2 72 421.545 5 ↓

Activity (Go SEA)

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