UCSF

ZINC19726730

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 15 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) 0.84 5.01 -65.27 1 4 0 57 226.301 3
Mid Mid (pH 6-8) 0.84 2.47 -47.91 0 4 -1 56 225.293 3

Activity (Go SEA)

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