UCSF

ZINC43427177

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 1.73 3.81 -37.74 2 3 1 29 225.356 4
Lo Low (pH 4.5-6) 1.73 5.98 -114.93 3 3 2 30 226.364 4

Activity (Go SEA)

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