UCSF

ZINC05083589

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 26 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) 4.55 11.32 -16.62 1 4 0 47 363.486 5
Mid Mid (pH 6-8) 4.55 11.76 -35.68 2 4 1 48 364.494 5

Activity (Go SEA)

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