UCSF

ZINC40125769

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 29 No

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) 3.98 7.05 -59.03 1 6 -1 88 394.447 9
Lo Low (pH 4.5-6) 3.98 6.28 -15.93 2 6 0 85 395.455 9

Activity (Go SEA)

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