UCSF

ZINC04597166

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 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) 3.55 4.79 -11.76 2 5 0 75 395.278 3
Mid Mid (pH 6-8) 3.55 4.83 -41.86 1 5 -1 77 394.27 3

Activity (Go SEA)

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