UCSF

ZINC41247724

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 24 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) 1.32 1.74 -56.09 1 7 -1 102 352.436 5
Lo Low (pH 4.5-6) 1.69 3.69 -13.59 2 7 0 96 353.444 4

Activity (Go SEA)

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