UCSF

ZINC44677584

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) -0.22 -0.95 -51.99 3 5 1 72 225.334 9
Hi High (pH 8-9.5) -0.22 -2.39 -11.07 2 5 0 67 224.326 9

Activity (Go SEA)

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