UCSF

ZINC68960309

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 27 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.12 11.32 -43.89 2 7 1 66 390.533 10
Mid Mid (pH 6-8) 1.12 8.9 -18.17 1 7 0 64 389.525 10

Activity (Go SEA)

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