UCSF

ZINC63743086

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 24 No

Popular Name: N'-[(2S)-2-[(4-amino-6-oxo-5H-pyrimidin-2-yl)sulfanyl]propanoyl]-3-chloro-benzohydrazide N'-[(2S)-2-[(4-amino-6-oxo-5H-py…

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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) 0.45 2.69 -19.55 4 8 0 126 367.818 5 ↓
Hi High (pH 8-9.5) 0.45 2.75 -35.65 3 8 -1 124 366.81 5 ↓
Lo Low (pH 4.5-6) 0.45 3.11 -51.09 5 8 1 128 368.826 5 ↓

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

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