UCSF

ZINC43335436

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 32 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) -2.92 0.24 -365.43 3 18 -4 279 517.177 9
Mid Mid (pH 6-8) -2.92 -0.91 -227.97 4 18 -3 277 518.185 9

Activity (Go SEA)

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