UCSF

ZINC67515531

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 20 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) 0.69 2.58 -55.54 1 7 -1 96 275.288 4
Mid Mid (pH 6-8) 0.23 4.21 -19.76 2 7 0 93 276.296 4
Lo Low (pH 4.5-6) 0.69 2.27 -35.73 3 7 1 94 277.304 4
Lo Low (pH 4.5-6) 0.69 3.04 -62.83 2 7 0 97 276.296 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.