UCSF

ZINC43285765

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 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) 0.65 5.25 -35.56 2 5 1 51 277.392 5
Hi High (pH 8-9.5) 0.65 5.05 -13.44 1 5 0 50 276.384 5
Mid Mid (pH 6-8) 0.65 7.47 -113.38 3 5 2 53 278.4 5
Lo Low (pH 4.5-6) 0.65 7.3 -48.03 2 5 1 51 277.392 5

Activity (Go SEA)

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