UCSF

ZINC28577563

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2009 22 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) 5.23 7.74 -9.9 1 3 0 46 341.835 5
Hi High (pH 8-9.5) 5.23 7.83 -36.25 0 3 -1 48 340.827 5

Activity (Go SEA)

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