UCSF

ZINC33738326

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 34 No

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) 4.46 12.37 -54.05 3 6 1 66 486.08 10
Hi High (pH 8-9.5) 4.46 10.05 -17.93 2 6 0 65 485.072 10

Activity (Go SEA)

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