UCSF

ZINC48441400

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2010 18 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) -0.30 4.06 -52.4 2 6 1 67 271.366 5
Hi High (pH 8-9.5) 0.26 1.15 -17.92 1 6 0 69 270.358 4
Mid Mid (pH 6-8) -0.48 3.47 -42.19 1 6 0 73 270.358 5

Activity (Go SEA)

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