UCSF

ZINC20900804

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 24 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) 2.89 5.69 -43.86 1 5 0 65 347.484 5
Hi High (pH 8-9.5) 2.89 4.26 -19.11 1 5 0 62 347.484 5
Mid Mid (pH 6-8) 2.89 6.65 -58.57 2 5 1 63 348.492 5

Activity (Go SEA)

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