UCSF

ZINC20899297

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 33 No

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) 2.21 10.87 -54.52 1 8 -1 124 481.579 6
Hi High (pH 8-9.5) 4.49 12.37 -34.38 2 8 -1 119 481.579 6
Mid Mid (pH 6-8) 4.14 12.38 -20.39 2 8 0 113 482.587 5
Lo Low (pH 4.5-6) 5.12 10.71 -54.64 0 8 -1 122 481.579 6

Activity (Go SEA)

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