UCSF

ZINC14755024

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 23 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) 4.69 9.33 -14.35 0 4 0 47 359.863 3
Lo Low (pH 4.5-6) 4.69 9.74 -38.49 1 4 1 49 360.871 3

Activity (Go SEA)

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