UCSF

ZINC45252104

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 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) 4.75 12.44 -16.34 1 6 0 73 441.969 6
Hi High (pH 8-9.5) 4.94 11.2 -46.84 0 6 -1 79 440.961 6

Activity (Go SEA)

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