UCSF

ZINC05083881

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 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) 4.49 12.23 -22.4 1 5 0 56 401.491 5
Mid Mid (pH 6-8) 4.49 12.66 -39.95 2 5 1 57 402.499 5

Activity (Go SEA)

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