UCSF

ZINC05921658

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 25 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) 2.06 2.51 -56.22 2 6 -1 99 338.339 5
Lo Low (pH 4.5-6) 2.06 1.75 -14.12 3 6 0 96 339.347 5

Activity (Go SEA)

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