UCSF

ZINC05154586

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 19 Yes

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) 2.41 3.07 -42.69 1 6 -1 83 259.289 5
Mid Mid (pH 6-8) 1.95 4.54 -13.41 2 6 0 80 260.297 5

Activity (Go SEA)

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