UCSF

ZINC27145531

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 33 Yes

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) 4.64 11.75 -62.17 2 6 1 71 466.627 9
Hi High (pH 8-9.5) 4.64 9.62 -18.95 1 6 0 70 465.619 9

Activity (Go SEA)

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