UCSF

ZINC33581021

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 29 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) 2.32 10.59 -47.09 1 6 0 78 393.487 8
Hi High (pH 8-9.5) 2.32 8.37 -37.92 0 6 -1 77 392.479 8

Activity (Go SEA)

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