UCSF

ZINC30905490

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 20 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) 2.33 4.38 -51.77 3 4 1 49 341.273 5
Hi High (pH 8-9.5) 2.33 5.31 -43.42 3 4 1 46 341.273 5
Mid Mid (pH 6-8) 2.33 6.59 -119.15 4 4 2 50 342.281 5

Activity (Go SEA)

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