UCSF

ZINC44518810

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 16 Yes

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) 0.74 4.49 -81.4 4 3 2 35 227.396 2
Mid Mid (pH 6-8) 0.74 6.09 -90.53 4 3 2 35 227.396 2
Lo Low (pH 4.5-6) 0.74 6.41 -178.94 5 3 3 37 228.404 2

Activity (Go SEA)

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