UCSF

ZINC25497375

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 4.49 11.34 -14.63 2 6 0 80 386.455 6
Hi High (pH 8-9.5) 4.95 9.89 -56.37 1 6 -1 83 385.447 6
Lo Low (pH 4.5-6) 4.49 11.85 -45.4 3 6 1 81 387.463 6

Activity (Go SEA)

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