UCSF

ZINC28841467

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.40 8.82 -28.04 1 6 0 81 352.371 3
Hi High (pH 8-9.5) 3.47 7.91 -60.76 0 6 -1 88 351.363 3

Activity (Go SEA)

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