UCSF

ZINC04766106

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 35 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) 4.64 12.4 -26.79 1 8 0 100 483.561 8
Mid Mid (pH 6-8) 4.76 11.02 -10.02 0 8 0 101 483.561 8
Mid Mid (pH 6-8) 4.76 11.78 -18.74 0 8 0 101 483.561 8
Mid Mid (pH 6-8) 4.60 11.14 -11.65 0 8 0 101 483.561 8

Activity (Go SEA)

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