UCSF

ZINC43443678

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 0.06 7.89 -35.14 2 6 0 94 298.383 8
Hi High (pH 8-9.5) 0.06 7.01 -41.9 1 6 -1 90 297.375 8

Activity (Go SEA)

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