UCSF

ZINC25497311

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 27 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) 5.94 13.4 -11.02 2 4 0 58 375.859 4
Hi High (pH 8-9.5) 6.40 11.82 -50.43 1 4 -1 61 374.851 4

Activity (Go SEA)

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