UCSF

ZINC58016675

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2011 28 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) 2.69 7.41 -39.02 2 6 1 59 386.516 9
Hi High (pH 8-9.5) 2.69 5.37 -10.15 1 6 0 58 385.508 9
Mid Mid (pH 6-8) 2.69 9.38 -98.12 3 6 2 60 387.524 9

Activity (Go SEA)

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