UCSF

ZINC16693860

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 28 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) 3.34 9.41 -19.57 1 6 0 88 368.396 2
Mid Mid (pH 6-8) 3.86 8.5 -38.56 0 6 -1 94 367.388 2
Lo Low (pH 4.5-6) 3.34 9.5 -50.36 2 6 1 89 369.404 2

Activity (Go SEA)

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