UCSF

ZINC12377197

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2008 34 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) 2.71 4.56 -31.91 4 10 0 149 452.43 4
Ref Reference (pH 7) 2.71 4.72 -23.52 4 10 0 149 452.43 4
Hi High (pH 8-9.5) 3.16 2.82 -62.21 3 10 -1 152 451.422 4
Hi High (pH 8-9.5) 3.16 2.66 -71.51 3 10 -1 152 451.422 4
Hi High (pH 8-9.5) 3.16 2.98 -55.76 3 10 -1 152 451.422 4

Activity (Go SEA)

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