UCSF

ZINC38256594

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 33 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) 3.32 11.07 -59.38 0 6 -1 83 439.491 5
Lo Low (pH 4.5-6) 3.32 10.32 -14.04 1 6 0 80 440.499 5
Lo Low (pH 4.5-6) 3.32 10.77 -49.08 2 6 1 81 441.507 5

Activity (Go SEA)

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