UCSF

ZINC20226375

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 22 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) -0.50 -1.4 -51.33 4 6 1 73 308.402 5
Mid Mid (pH 6-8) -0.50 0.97 -117.38 5 6 2 74 309.41 5
Mid Mid (pH 6-8) -0.50 0.52 -128.66 5 6 2 74 309.41 5

Activity (Go SEA)

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