UCSF

ZINC26842447

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 34 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) 3.16 11.49 -26.72 1 7 0 65 482.581 7
Mid Mid (pH 6-8) 4.12 10.45 -39.31 1 7 0 67 482.581 6

Activity (Go SEA)

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