UCSF

ZINC06728424

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 29 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) 5.69 12.24 -55.61 0 4 -1 60 410.921 6
Mid Mid (pH 6-8) 6.14 1.05 -25.77 1 4 0 57 411.929 5
Mid Mid (pH 6-8) 5.11 1.27 -16.75 0 4 0 54 411.929 6

Activity (Go SEA)

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