UCSF

ZINC16732533

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 34 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) 5.25 12.71 -58.1 0 6 -1 83 456.518 9
Mid Mid (pH 6-8) 5.69 11.4 -26.13 1 6 0 80 457.526 8
Mid Mid (pH 6-8) 4.66 12.37 -18.51 0 6 0 77 457.526 9

Activity (Go SEA)

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