UCSF

ZINC19837527

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 30 Yes

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

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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) 2.28 9.4 -51.76 2 6 1 66 402.522 5 ↓
Mid Mid (pH 6-8) 2.28 9.39 -54.87 2 6 1 66 402.522 5 ↓
Mid Mid (pH 6-8) 2.28 7.07 -14.25 1 6 0 65 401.514 5 ↓
Lo Low (pH 4.5-6) 2.28 9.87 -102.15 3 6 2 68 403.53 5 ↓

Activity (Go SEA)

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