UCSF

ZINC33766731

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 34 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) 3.45 8.36 -15.23 0 8 0 72 465.55 5
Mid Mid (pH 6-8) 3.45 10.64 -56.95 1 8 1 73 466.558 5

Activity (Go SEA)

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