UCSF

ZINC20116189

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 40 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) 5.87 14.03 -51.47 4 6 1 78 541.76 11
Hi High (pH 8-9.5) 5.87 11.71 -14.17 3 6 0 77 540.752 11

Activity (Go SEA)

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