UCSF

ZINC57305846

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 20 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) 2.04 7.25 -40.21 2 5 1 50 277.392 6
Hi High (pH 8-9.5) 2.04 5.2 -10.19 1 5 0 48 276.384 6
Mid Mid (pH 6-8) 2.04 7.71 -81.79 3 5 2 51 278.4 6

Activity (Go SEA)

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