UCSF

ZINC41667483

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.60 3.67 -10.71 0 7 0 72 372.421 5
Mid Mid (pH 6-8) 1.60 5.98 -47.21 1 7 1 73 373.429 5
Lo Low (pH 4.5-6) 1.60 8.79 -122.81 2 7 2 75 374.437 5

Activity (Go SEA)

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