UCSF

ZINC49917764

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 43 No

Popular Name: 4-[[(3R)-1-[4-[3-(2-phenylphenoxy)propylamino]-6-piperazin-1-yl-1,3,5-triazin-2-yl]-3-piperidyl]meth 4-[[(3R)-1-[4-[3-(2-phenylphenox…

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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) 6.92 20.46 -53.41 4 9 1 103 580.757 11 ↓
Hi High (pH 8-9.5) 6.92 19.17 -13.35 3 9 0 99 579.749 11 ↓
Lo Low (pH 4.5-6) 6.92 20.64 -105.28 5 9 2 104 581.765 11 ↓

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

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