UCSF

ZINC16731318

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) 3.00 10.72 -80.75 1 8 0 100 470.497 10
Mid Mid (pH 6-8) 3.44 9.56 -69.74 2 8 1 98 471.505 9
Mid Mid (pH 6-8) 2.41 10.58 -72.41 1 8 1 94 471.505 10

Activity (Go SEA)

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