UCSF

ZINC39807811

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 24 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) -3.81 1.2 -97.72 6 9 0 160 342.396 8
Hi High (pH 8-9.5) -3.81 0.95 -78.89 5 9 -1 159 341.388 8

Activity (Go SEA)

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