UCSF

ZINC43264689

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 19 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) 2.53 3.93 -54.84 5 4 1 80 342.238 5
Hi High (pH 8-9.5) 2.53 3.59 -13.81 4 4 0 78 341.23 5

Activity (Go SEA)

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