UCSF

ZINC40659851

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 22 No

Popular Name: 5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-ol 5-nitro-6-[4-(2-pyridyl)piperazi…

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Vendors

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) 0.48 8.73 -50.47 2 9 1 112 303.302 3 ↓
Hi High (pH 8-9.5) 0.94 5.04 -45.45 0 9 -1 114 301.286 3 ↓
Mid Mid (pH 6-8) 0.48 8.42 -23.9 1 9 0 111 302.294 3 ↓
Mid Mid (pH 6-8) 0.94 5.34 -58.34 1 9 0 115 302.294 3 ↓

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

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