UCSF

ZINC05225136

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 35 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) 4.17 10.48 -139.81 0 8 -2 125 470.433 5
Mid Mid (pH 6-8) 4.17 9.88 -62.8 1 8 -1 122 471.441 5
Mid Mid (pH 6-8) 4.17 9.56 -31.26 2 8 0 119 472.449 5

Activity (Go SEA)

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