UCSF

ZINC05235882

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 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) 5.14 11.69 -17.09 1 5 0 56 393.531 10
Mid Mid (pH 6-8) 5.14 11.98 -39.06 2 5 1 57 394.539 10

Activity (Go SEA)

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