UCSF

ZINC41946163

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 21 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) -0.18 2.61 -55.18 3 7 1 83 297.379 5
Hi High (pH 8-9.5) 0.01 -1.97 -48.74 1 7 -1 88 295.363 5
Mid Mid (pH 6-8) -0.18 0.69 -15.92 2 7 0 82 296.371 5

Activity (Go SEA)

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