UCSF

ZINC59511097

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 31 No

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) 2.31 7.62 -51.09 1 7 -1 116 431.505 5
Lo Low (pH 4.5-6) 2.31 5.64 -13.41 2 7 0 113 432.513 5

Activity (Go SEA)

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