UCSF

ZINC20967848

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.33 3.08 -40.46 4 4 1 58 346.289 10
Mid Mid (pH 6-8) 2.33 4.57 -116.61 5 4 2 63 347.297 10
Lo Low (pH 4.5-6) 2.33 3.16 -37.74 4 4 1 58 346.289 10

Activity (Go SEA)

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