UCSF

ZINC19529800

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 29 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) 3.14 7.52 -10.43 1 7 0 85 414.483 6
Mid Mid (pH 6-8) 3.14 8.67 -48.13 2 7 1 90 415.491 6

Activity (Go SEA)

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