UCSF

ZINC35017583

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 35 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) 0.36 3.96 -12.47 2 10 0 124 480.5 6
Mid Mid (pH 6-8) 0.36 4.59 -51.57 1 10 -1 127 479.492 6
Lo Low (pH 4.5-6) 0.36 5.66 -44.97 3 10 1 126 481.508 6

Activity (Go SEA)

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