UCSF

ZINC21809403

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 2.42 4.39 -39.98 3 4 1 49 308.833 3
Hi High (pH 8-9.5) 2.42 5.45 -35.82 3 4 1 46 308.833 3
Mid Mid (pH 6-8) 2.42 3.19 -5.75 2 4 0 44 307.825 3
Lo Low (pH 4.5-6) 2.42 6.66 -107.97 4 4 2 50 309.841 3

Activity (Go SEA)

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