UCSF

ZINC40052621

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 35 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) 3.74 9.13 -60.8 1 8 -1 116 480.537 11
Lo Low (pH 4.5-6) 3.74 8.38 -18 2 8 0 113 481.545 11

Activity (Go SEA)

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