UCSF

ZINC40053686

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 28 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) 3.24 7.24 -55.76 1 5 -1 81 402.829 6
Lo Low (pH 4.5-6) 3.24 6.48 -12.49 2 5 0 78 403.837 6

Activity (Go SEA)

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