UCSF

ZINC35625301

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) 5.83 11.09 -39.97 0 6 -1 83 469.34 2
Mid Mid (pH 6-8) 5.83 11.69 -14.66 1 6 0 81 470.348 2

Activity (Go SEA)

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