UCSF

ZINC20615579

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 31 No

Popular Name: 2-hydroxy-5-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yliminomethyl)benzoic 2-hydroxy-5-(2,5,8,11,14-pentaox…

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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) 2.27 7.64 -55.51 1 9 -1 119 430.433 3 ↓
Lo Low (pH 4.5-6) 2.28 5.22 -62.04 2 9 0 120 431.441 3 ↓
Lo Low (pH 4.5-6) 2.27 8.78 -67.9 2 9 0 120 431.441 3 ↓
Lo Low (pH 4.5-6) 2.28 5.22 -62.04 2 9 0 120 431.441 3 ↓

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Rings

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

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