UCSF

ZINC33717845

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 31 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) -0.01 5.71 -42.42 5 9 0 149 495.374 9
Hi High (pH 8-9.5) -0.01 3.43 -60.69 4 9 -1 145 494.366 9
Mid Mid (pH 6-8) -0.01 4.79 -49.12 4 9 -1 145 494.366 9

Activity (Go SEA)

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