UCSF

ZINC63179272

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2011 21 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) 0.22 3.3 -51.8 4 5 1 77 310.805 4
Hi High (pH 8-9.5) 0.22 2.92 -12.06 3 5 0 75 309.797 4

Activity (Go SEA)

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