UCSF

ZINC43254116

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.56 5.74 -27.79 3 3 1 40 319.922 9
Hi High (pH 8-9.5) 3.56 4.44 -2.88 2 3 0 38 318.914 9
Mid Mid (pH 6-8) 3.56 4.71 -41.99 3 3 1 40 319.922 9
Mid Mid (pH 6-8) 3.56 6.06 -104.31 4 3 2 41 320.93 9

Activity (Go SEA)

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