UCSF

ZINC50973653

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2010 25 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) 4.94 8.61 -45.22 1 5 -1 85 355.801 4
Hi High (pH 8-9.5) 5.12 7.11 -122 0 5 -2 92 354.793 4
Lo Low (pH 4.5-6) 3.91 9.66 -17.14 1 5 0 79 356.809 5

Activity (Go SEA)

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