UCSF

ZINC17968819

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2008 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) 3.40 8.36 -15.61 0 5 0 76 364.426 4
Lo Low (pH 4.5-6) 3.40 8.51 -42.73 1 5 1 78 365.434 4
Lo Low (pH 4.5-6) 3.40 8.48 -42.49 1 5 1 78 365.434 4

Activity (Go SEA)

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