UCSF

ZINC39765797

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 33 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) 5.01 6.29 -15.89 2 8 0 106 483.311 6
Hi High (pH 8-9.5) 5.07 5.26 -49.56 1 8 -1 113 482.303 6

Activity (Go SEA)

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