UCSF

ZINC33712884

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 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) 4.63 15.66 -53.33 1 5 1 45 474.666 12
Hi High (pH 8-9.5) 4.63 13.15 -12.81 0 5 0 44 473.658 12

Activity (Go SEA)

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