UCSF

ZINC09849168

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2007 31 No

Popular Name: 7-(2-hydroxy-3-isopropoxy-propyl)-8-[(2-hydroxyphenyl)methyleneaminoamino]-1,3-dimethyl-purine-2,6-d 7-(2-hydroxy-3-isopropoxy-propyl…

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Download: MOL2 SDF SMILES Flexibase

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) 1.70 6.95 -16.31 3 11 0 136 430.465 8 ↓
Hi High (pH 8-9.5) 1.70 7.71 -54.16 2 11 -1 139 429.457 8 ↓
Mid Mid (pH 6-8) 1.69 -3.89 -39.04 4 11 1 137 431.473 8 ↓
Lo Low (pH 4.5-6) 1.70 7.34 -49.79 4 11 1 138 431.473 8 ↓

Activity (Go SEA)

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