UCSF

ZINC17251024

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 31 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) 3.17 7.99 -63.94 0 7 -1 88 424.473 9
Mid Mid (pH 6-8) 2.58 9.76 -12.33 0 7 0 82 425.481 9
Lo Low (pH 4.5-6) 3.17 7.17 -15.02 1 7 0 85 425.481 9

Activity (Go SEA)

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