UCSF

ZINC39972022

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 25 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) 2.30 1.87 -8.74 0 6 0 53 408.351 5
Mid Mid (pH 6-8) 2.30 4.12 -48.85 1 6 1 54 409.359 5
Mid Mid (pH 6-8) 2.30 4.15 -45.58 1 6 1 54 409.359 5
Lo Low (pH 4.5-6) 2.30 6.38 -130.06 2 6 2 55 410.367 5

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