UCSF

ZINC43396549

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 0.86 4.57 -14.22 3 4 0 64 258.35 4
Mid Mid (pH 6-8) 0.86 4.89 -44.63 4 4 1 65 259.358 4
Lo Low (pH 4.5-6) 0.86 5.36 -93.81 5 4 2 66 260.366 4

Activity (Go SEA)

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