UCSF

ZINC41643609

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 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) 4.48 10.87 -13.96 1 7 0 94 415.515 9
Hi High (pH 8-9.5) 4.55 9.82 -47.45 0 7 -1 101 414.507 9

Activity (Go SEA)

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