UCSF

ZINC38574171

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 26 No

Popular Name: 3-[[(5S)-1-amino-7-benzyl-5,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-5-yl]amino]propan-1-ol 3-[[(5S)-1-amino-7-benzyl-5,6,8,…

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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) 0.97 0.2 -31.14 5 7 1 101 353.45 6 ↓
Hi High (pH 8-9.5) 0.97 0.04 -10.44 4 7 0 100 352.442 6 ↓
Mid Mid (pH 6-8) 0.97 1.94 -100.92 6 7 2 105 354.458 6 ↓
Lo Low (pH 4.5-6) 0.97 2.01 -127.13 6 7 2 102 354.458 6 ↓

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

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