UCSF

ZINC04607582

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2005 26 Yes

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) 5.50 11.31 -53.28 3 5 1 64 377.94 9
Hi High (pH 8-9.5) 5.50 9.96 -12.52 2 5 0 59 376.932 9

Activity (Go SEA)

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