UCSF

ZINC12530328

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 26 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) 2.13 9.08 -41.38 1 6 1 58 356.446 5
Hi High (pH 8-9.5) 2.13 8.66 -11.2 0 6 0 57 355.438 5
Mid Mid (pH 6-8) 2.13 11.24 -103.69 2 6 2 59 357.454 5

Activity (Go SEA)

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