UCSF

ZINC30852140

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 27 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) 3.38 4.86 -45.39 1 7 -1 107 467.346 6
Hi High (pH 8-9.5) 3.38 4.86 -46.69 1 7 -1 107 467.346 6
Hi High (pH 8-9.5) 3.38 4.93 -93.32 0 7 -2 109 466.338 6
Mid Mid (pH 6-8) 3.38 4.79 -18.26 2 7 0 105 468.354 6

Activity (Go SEA)

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