UCSF

ZINC48977693

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.35 3.16 -13.33 2 5 0 75 298.408 6
Mid Mid (pH 6-8) 2.35 3.32 -44.45 1 5 -1 77 297.4 6

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Rings

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