UCSF

ZINC39723964

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 29 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) 4.94 10.76 -17.04 1 6 0 73 449.985 9
Hi High (pH 8-9.5) 5.01 9.09 -47.72 0 6 -1 80 448.977 9

Activity (Go SEA)

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