UCSF

ZINC25562451

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 24 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) 1.74 4.88 -16.32 1 7 0 89 367.452 6
Hi High (pH 8-9.5) 1.81 3.96 -44.11 0 7 -1 95 366.444 6

Activity (Go SEA)

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