UCSF

ZINC40659849

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 24 No

Popular Name: 6-[benzyl(2-pyridyl)amino]-5-nitro-pyrimidin-4-ol 6-[benzyl(2-pyridyl)amino]-5-nit…

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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) 1.99 10.74 -23.4 1 8 0 108 323.312 5 ↓
Hi High (pH 8-9.5) 2.44 7.63 -51.24 0 8 -1 111 322.304 5 ↓
Mid Mid (pH 6-8) 1.99 10.94 -47.12 2 8 1 109 324.32 5 ↓

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

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