UCSF

ZINC42456949

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.96 2.05 -41.83 3 3 1 40 201.334 4
Hi High (pH 8-9.5) 0.96 1.57 -1.56 2 3 0 38 200.326 4
Mid Mid (pH 6-8) 0.96 3.91 -118.04 4 3 2 41 202.342 4

Activity (Go SEA)

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