UCSF

ZINC19213562

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 25 No

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) 2.41 7.35 -23.39 2 5 0 75 391.543 6
Hi High (pH 8-9.5) 2.86 6.27 -53.78 1 5 -1 78 390.535 6

Activity (Go SEA)

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