UCSF

ZINC49088805

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 18 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) 2.82 7.38 -44.07 2 4 1 46 264.374 5
Hi High (pH 8-9.5) 2.64 4.13 -48.57 0 4 -1 52 262.358 5
Mid Mid (pH 6-8) 2.64 6.45 -39.28 1 4 0 53 263.366 5

Activity (Go SEA)

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