UCSF

ZINC20992469

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 29 Yes

Popular Name: 2-[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[4-[[4-(2-pyridyl)piperazin-1-…

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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) 2.94 8.38 -41.15 2 6 1 66 388.495 4 ↓
Mid Mid (pH 6-8) 2.94 10.41 -55.75 2 6 1 66 388.495 4 ↓
Mid Mid (pH 6-8) 2.94 8.1 -14.26 1 6 0 65 387.487 4 ↓
Lo Low (pH 4.5-6) 2.94 10.7 -115.52 3 6 2 68 389.503 4 ↓

Activity (Go SEA)

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