UCSF

ZINC64559786

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 37 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) 6.75 12.41 -69.86 3 6 2 56 534.491 6
Hi High (pH 8-9.5) 6.75 11.98 -31.55 2 6 1 55 533.483 6
Hi High (pH 8-9.5) 6.75 12.01 -36.94 2 6 1 55 533.483 6
Mid Mid (pH 6-8) 6.75 14.62 -162.67 4 6 3 57 535.499 6

Activity (Go SEA)

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