UCSF

ZINC37140550

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 1.24 -0.02 -47.3 5 5 1 83 298.794 5
Hi High (pH 8-9.5) 1.24 0.68 -33.78 4 5 0 86 297.786 5
Hi High (pH 8-9.5) 1.24 -1.25 -10.07 4 5 0 79 297.786 5
Hi High (pH 8-9.5) 1.24 0.95 -41.56 5 5 1 80 298.794 5

Activity (Go SEA)

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