UCSF

ZINC40435676

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 21 No

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) -0.43 1.33 -41.29 3 7 1 78 296.395 4
Hi High (pH 8-9.5) -0.43 -1.02 -6.97 2 7 0 77 295.387 4
Mid Mid (pH 6-8) -0.43 0.91 -39.23 3 7 1 78 296.395 4

Activity (Go SEA)

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