UCSF

ZINC39229363

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 28 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) 3.94 10.26 -51.66 3 5 1 62 393.898 4
Mid Mid (pH 6-8) 3.94 8.99 -9.73 2 5 0 57 392.89 4
Lo Low (pH 4.5-6) 3.94 10.6 -119.95 4 5 2 63 394.906 4

Activity (Go SEA)

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