UCSF

ZINC43504430

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 3.02 3.13 -37.34 1 4 -1 67 222.33 9
Mid Mid (pH 6-8) 3.02 2.64 -9.99 2 4 0 69 223.338 9

Activity (Go SEA)

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