UCSF

ZINC27073758

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 26 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) 3.02 6.08 -167.33 7 5 3 80 375.924 9
Hi High (pH 8-9.5) 3.02 4.66 -78.82 6 5 2 75 374.916 9
Hi High (pH 8-9.5) 3.02 5.7 -123.87 6 5 2 78 374.916 9
Hi High (pH 8-9.5) 3.02 4.29 -50.02 5 5 1 74 373.908 9
Hi High (pH 8-9.5) 3.02 5.33 -52.08 5 5 1 77 373.908 9

Activity (Go SEA)

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