UCSF

ZINC35268782

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 33 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) 4.34 8.28 -18.14 1 8 0 101 486.619 6
Hi High (pH 8-9.5) 4.52 6.5 -45.65 0 8 -1 108 485.611 6

Activity (Go SEA)

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