UCSF

ZINC44895455

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 22 Yes

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) 2.41 5.79 -13.58 1 6 0 78 320.37 6
Hi High (pH 8-9.5) 2.60 3.72 -38.23 0 6 -1 84 319.362 6

Activity (Go SEA)

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