UCSF

ZINC43344179

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.77 7.73 -18.24 1 5 0 58 310.81 4
Hi High (pH 8-9.5) 2.40 6.48 -48.74 0 5 -1 64 309.802 5

Activity (Go SEA)

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