UCSF

ZINC52819971

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 24 Yes

Popular Name: [1-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]-4-piperidyl]methanol [1-[(1S)-1-(4-amino-6-anilino-1,…

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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) 2.03 8.34 -33.77 5 7 1 101 329.428 5 ↓
Hi High (pH 8-9.5) 2.03 6.14 -8.01 4 7 0 100 328.42 5 ↓

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

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