UCSF

ZINC36722927

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 16 No

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) -0.34 2.2 -47.62 2 5 -1 81 239.638 3
Mid Mid (pH 6-8) -0.34 2.19 -48.65 2 5 -1 81 239.638 3
Mid Mid (pH 6-8) -0.34 3.43 -35.43 3 5 0 86 240.646 3

Activity (Go SEA)

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