UCSF

ZINC57927800

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 26 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) -0.72 0.47 -20.51 3 9 0 132 380.426 4
Hi High (pH 8-9.5) 0.18 -1.67 -60.63 2 9 -1 135 379.418 4

Activity (Go SEA)

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