UCSF

ZINC05154496

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 20 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) 3.38 5.91 -43.66 1 5 -1 74 269.328 4
Mid Mid (pH 6-8) 2.92 7.47 -12.07 2 5 0 71 270.336 4

Activity (Go SEA)

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