UCSF

ZINC40101730

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 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) 3.22 7.13 -61.98 1 6 -1 90 394.447 9
Lo Low (pH 4.5-6) 3.22 6.37 -14.15 2 6 0 87 395.455 9

Activity (Go SEA)

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