UCSF

ZINC69661832

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 25 Yes

Popular Name: (2S)-1-[4-[2-(4-pyridyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol (2S)-1-[4-[2-(4-pyridyl)-6,7-dih…

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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) 1.56 4.94 -8.76 1 6 0 65 339.443 4 ↓
Mid Mid (pH 6-8) 1.56 5.27 -31.63 2 6 1 67 340.451 4 ↓
Mid Mid (pH 6-8) 1.56 7.21 -42.66 2 6 1 67 340.451 4 ↓
Lo Low (pH 4.5-6) 1.56 7.55 -85.29 3 6 2 68 341.459 4 ↓

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Rings

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

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