UCSF

ZINC47628686

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2010 15 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) -0.30 0.63 -41.5 4 5 1 77 216.305 5
Hi High (pH 8-9.5) -0.30 -1.64 -11.94 3 5 0 75 215.297 5

Activity (Go SEA)

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