UCSF

ZINC26652565

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 33 No

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) 3.55 10.86 -47.89 3 7 1 84 443.527 8
Hi High (pH 8-9.5) 3.55 8.25 -14.27 2 7 0 83 442.519 8

Activity (Go SEA)

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