UCSF

ZINC59218869

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 20 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) 4.68 9.79 -50.41 1 4 -1 69 284.42 14
Lo Low (pH 4.5-6) 4.68 7.81 -12.74 2 4 0 66 285.428 14

Activity (Go SEA)

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