UCSF

ZINC15441396

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 4.07 11.59 -49.94 4 7 1 92 479.988 8
Hi High (pH 8-9.5) 3.89 8.62 -58.85 2 7 -1 97 477.972 8
Hi High (pH 8-9.5) 3.89 10.91 -40.63 3 7 0 98 478.98 8

Activity (Go SEA)

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