UCSF

ZINC43253844

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 1.77 2.93 -118.27 6 4 2 75 305.875 7
Hi High (pH 8-9.5) 1.77 0.21 -41.17 5 4 1 74 304.867 7
Hi High (pH 8-9.5) 1.77 -0.08 -5.81 4 4 0 72 303.859 7
Mid Mid (pH 6-8) 1.77 2.66 -34.23 5 4 1 74 304.867 7

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