UCSF

ZINC18996650

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2008 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) 4.04 7.22 -9.39 1 4 0 58 315.785 2
Hi High (pH 8-9.5) 4.49 5.22 -43.77 0 4 -1 61 314.777 2
Hi High (pH 8-9.5) 4.49 5.69 -40.76 0 4 -1 61 314.777 2
Lo Low (pH 4.5-6) 4.04 7.5 -41.98 2 4 1 59 316.793 2

Activity (Go SEA)

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