UCSF

ZINC28863057

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 49 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) -0.78 3.61 -46.91 5 15 0 195 678.791 6
Mid Mid (pH 6-8) -0.78 5.38 -70.63 6 15 1 199 679.799 6

Activity (Go SEA)

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