UCSF

ZINC43253644

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.02 5.97 -125.59 5 4 2 61 333.929 8
Hi High (pH 8-9.5) 3.02 4.26 -37.59 4 4 1 60 332.921 8
Hi High (pH 8-9.5) 3.02 3.92 -4.42 3 4 0 58 331.913 8
Mid Mid (pH 6-8) 3.02 5.68 -38.15 4 4 1 60 332.921 8

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