UCSF

ZINC59710113

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 37 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) 0.05 5.45 -51.66 5 11 1 150 523.699 12
Hi High (pH 8-9.5) 0.05 3.96 -25.81 4 11 0 145 522.691 12

Activity (Go SEA)

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