UCSF

ZINC04766115

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 12.64 -26.5 1 8 0 100 483.561 8
Mid Mid (pH 6-8) 4.76 11.25 -10.19 0 8 0 101 483.561 8
Mid Mid (pH 6-8) 4.76 12.01 -17.84 0 8 0 101 483.561 8
Mid Mid (pH 6-8) 4.60 11.33 -11.58 0 8 0 101 483.561 8

Activity (Go SEA)

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