UCSF

ZINC38718447

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 28 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) 4.38 8.22 -20.66 1 6 0 73 480.409 6
Mid Mid (pH 6-8) 4.38 8.71 -64.1 0 6 -1 75 479.401 6
Lo Low (pH 4.5-6) 4.38 8.66 -38.59 2 6 1 74 481.417 6

Activity (Go SEA)

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