UCSF

ZINC19820290

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 29 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) 4.49 9.86 -13.53 1 6 0 72 472.364 5
Hi High (pH 8-9.5) 4.56 8.94 -42.67 0 6 -1 78 471.356 5

Activity (Go SEA)

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