UCSF

ZINC40025989

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.54 11.99 -54.67 0 4 -1 60 453.356 6
Lo Low (pH 4.5-6) 5.54 11.22 -10.4 1 4 0 58 454.364 6

Activity (Go SEA)

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