UCSF

ZINC44930029

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 19 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) 0.09 0 -49.9 1 8 -1 123 277.289 4
Hi High (pH 8-9.5) 0.09 -0.2 -113.5 0 8 -2 125 276.281 4
Lo Low (pH 4.5-6) 0.09 0 -16.82 2 8 0 124 278.297 4

Activity (Go SEA)

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