UCSF

ZINC38139251

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 38 No

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) 3.00 5.55 -61.72 0 11 -1 135 535.606 5
Lo Low (pH 4.5-6) 2.54 7.79 -27.92 1 11 0 132 536.614 5
Lo Low (pH 4.5-6) 2.54 7.3 -42.56 1 11 0 132 536.614 5

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

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