UCSF

ZINC65748304

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 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) -0.14 4.34 -72.68 4 6 0 106 284.356 6
Hi High (pH 8-9.5) -0.14 4.07 -48.07 3 6 -1 104 283.348 6

Activity (Go SEA)

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