UCSF

ZINC44849005

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 32 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) 4.97 10.82 -14.13 1 5 0 66 450.604 5
Hi High (pH 8-9.5) 4.97 10.87 -55.21 0 5 -1 69 449.596 5

Activity (Go SEA)

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