UCSF

ZINC43253762

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) 3.08 7.26 -34 3 3 1 40 317.906 6
Hi High (pH 8-9.5) 3.08 4.84 -3.11 2 3 0 38 316.898 6
Mid Mid (pH 6-8) 3.08 7.6 -117.8 4 3 2 41 318.914 6
Mid Mid (pH 6-8) 3.08 5.13 -44.54 3 3 1 40 317.906 6

Activity (Go SEA)

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