UCSF

ZINC12583919

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 24 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) 3.85 6.51 -15.92 2 6 0 84 453.09 4
Hi High (pH 8-9.5) 4.31 4.76 -45.08 1 6 -1 87 452.082 4

Activity (Go SEA)

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