UCSF

ZINC08914963

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 32 No

Popular Name: 4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl-hydroxy-methylene)-5-(3-pyridyl)-1-(3-pyridylmethyl 4-(2,5-dioxabicyclo[4.4.0]deca-7…

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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) 0.81 6.19 -62.95 0 8 -1 105 428.424 5 ↓
Mid Mid (pH 6-8) 0.23 6.85 -18.16 0 8 0 99 429.432 5 ↓
Mid Mid (pH 6-8) 1.26 5.94 -24.3 1 8 0 102 429.432 4 ↓
Lo Low (pH 4.5-6) 0.23 7.13 -42.44 1 8 1 100 430.44 5 ↓
Lo Low (pH 4.5-6) 0.23 7.16 -51.23 1 8 1 100 430.44 5 ↓
Lo Low (pH 4.5-6) 0.23 7.44 -108.94 2 8 2 101 431.448 5 ↓
Lo Low (pH 4.5-6) 0.81 7.08 -101.09 3 8 2 104 431.448 5 ↓
Lo Low (pH 4.5-6) 0.81 6.8 -43.67 2 8 1 103 430.44 5 ↓
Lo Low (pH 4.5-6) 0.81 6.77 -39.77 2 8 1 103 430.44 5 ↓

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