UCSF

ZINC51189557

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.11 9.23 -45.44 2 3 1 39 307.417 5
Hi High (pH 8-9.5) 4.11 7.86 -6.79 1 3 0 34 306.409 5
Lo Low (pH 4.5-6) 4.11 8.37 -32.24 2 3 1 35 307.417 5

Activity (Go SEA)

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