UCSF

ZINC56523498

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2011 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

    None

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) 2.90 10.52 -88.98 2 4 2 35 272.433 9
Mid Mid (pH 6-8) 2.90 8.36 -38.25 1 4 1 34 271.425 9

Activity (Go SEA)

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