UCSF

ZINC38573927

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 29 No

Popular Name: (5S)-N5,7-dibenzyl-5,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine (5S)-N5,7-dibenzyl-5,6,8,9-tetra…

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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) 2.73 5.99 -29.19 4 6 1 81 385.495 5 ↓
Hi High (pH 8-9.5) 2.73 5.83 -7.21 3 6 0 79 384.487 5 ↓
Lo Low (pH 4.5-6) 2.73 8.28 -101.52 5 6 2 82 386.503 5 ↓
Lo Low (pH 4.5-6) 2.73 7.43 -102.58 5 6 2 85 386.503 5 ↓
Lo Low (pH 4.5-6) 2.73 7.82 -123.19 5 6 2 82 386.503 5 ↓

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

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