UCSF

ZINC57566331

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 25 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) 3.25 5.57 -59.74 1 6 -1 90 392.869 5
Mid Mid (pH 6-8) 3.25 5.49 -22.61 2 6 0 88 393.877 5

Activity (Go SEA)

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