UCSF

ZINC49744826

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 37 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) 6.24 13.71 -60.55 3 6 1 66 558.452 10
Mid Mid (pH 6-8) 6.24 11.48 -16.67 2 6 0 65 557.444 10

Activity (Go SEA)

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