UCSF

ZINC05800242

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 26 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) 2.22 6.65 -58.11 1 5 -1 81 354.357 5
Mid Mid (pH 6-8) 2.67 -0.8 -23.25 2 5 0 77 355.365 4
Mid Mid (pH 6-8) 1.64 -1.36 -12.61 1 5 0 74 355.365 5

Activity (Go SEA)

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