UCSF

ZINC58322465

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 25 Yes

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) 3.64 9.63 -46.55 3 4 1 46 358.893 5
Hi High (pH 8-9.5) 3.64 7.38 -8.08 2 4 0 44 357.885 5

Activity (Go SEA)

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