UCSF

ZINC16667063

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 35 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) 8.52 13.07 -15.8 2 6 0 83 467.569 8
Hi High (pH 8-9.5) 8.52 14.07 -68.34 1 6 -1 86 466.561 8

Activity (Go SEA)

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