UCSF

ZINC36221305

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 14 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) 0.34 2.62 -85.91 6 5 2 69 197.286 5
Hi High (pH 8-9.5) 0.34 -0.32 -5.52 4 5 0 66 195.27 5
Mid Mid (pH 6-8) 0.34 2.15 -40.65 5 5 1 67 196.278 5
Lo Low (pH 4.5-6) 0.34 1.96 -91.33 6 5 2 69 197.286 5

Activity (Go SEA)

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