UCSF

ZINC35646423

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 27 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) 5.66 8.1 -17.41 2 5 0 75 441.306 4
Mid Mid (pH 6-8) 5.66 7.69 -45.61 1 5 -1 77 440.298 4

Activity (Go SEA)

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