UCSF

ZINC43427079

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 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) 2.45 4.45 -3.11 0 2 0 12 217.74 3
Mid Mid (pH 6-8) 2.45 6.66 -36.23 1 2 1 14 218.748 3

Activity (Go SEA)

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