UCSF

ZINC31961337

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 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) -0.85 -2.82 -55.01 6 6 1 102 225.272 5
Mid Mid (pH 6-8) -0.85 -3.22 -14.4 5 6 0 100 224.264 5
Mid Mid (pH 6-8) -0.85 -2.37 -101.87 7 6 2 103 226.28 5

Activity (Go SEA)

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