UCSF

ZINC13118886

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 28 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.49 -2.45 -13.41 2 8 0 84 396.484 10
Mid Mid (pH 6-8) 0.49 -0.18 -47.39 3 8 1 85 397.492 10
Mid Mid (pH 6-8) 0.49 -0.15 -47.52 3 8 1 85 397.492 10
Lo Low (pH 4.5-6) 0.49 2.12 -89.44 4 8 2 86 398.5 10

Activity (Go SEA)

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