UCSF

ZINC65528389

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 24 Yes

Popular Name: N2-benzyl-6-[(1R,6S)-4,9-diazabicyclo[4.2.1]nonan-9-yl]-1,3,5-triazine-2,4-diamine N2-benzyl-6-[(1R,6S)-4,9-diazabi…

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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) 2.01 11.28 -38.07 5 7 1 97 326.428 4 ↓
Hi High (pH 8-9.5) 2.01 10.02 -7.63 4 7 0 92 325.42 4 ↓
Lo Low (pH 4.5-6) 2.01 11.63 -89.91 6 7 2 98 327.436 4 ↓

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

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