UCSF

ZINC39557476

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 3.76 6.97 -45.24 1 4 -1 69 345.403 1
Lo Low (pH 4.5-6) 3.31 8.71 -10.83 2 4 0 66 346.411 1
Lo Low (pH 4.5-6) 3.76 6.77 -46.88 1 4 -1 69 345.403 1

Activity (Go SEA)

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