UCSF

ZINC25440059

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 22 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) 0.68 4.6 -20.52 2 5 0 71 297.358 6
Lo Low (pH 4.5-6) 0.68 4.97 -48.61 3 5 1 72 298.366 6

Activity (Go SEA)

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