UCSF

ZINC04736862

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 23 No

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) 2.44 6.26 -25.05 1 6 0 69 330.413 5
Mid Mid (pH 6-8) 2.73 -2.79 -47.72 1 6 1 68 331.421 5

Activity (Go SEA)

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