UCSF

ZINC20608411

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 30 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) 4.05 8.63 -16.89 1 6 0 77 427.432 3
Hi High (pH 8-9.5) 4.51 7.74 -50.05 0 6 -1 80 426.424 3

Activity (Go SEA)

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