UCSF

ZINC52839290

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 24 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) 1.62 6.19 -52.28 2 6 1 63 352.48 8
Mid Mid (pH 6-8) 1.62 3.75 -16.12 1 6 0 62 351.472 8

Activity (Go SEA)

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