UCSF

ZINC50913361

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 3.55 8.66 -60.83 2 4 0 57 260.337 3
Hi High (pH 8-9.5) 3.55 6.42 -53.47 1 4 -1 55 259.329 3
Lo Low (pH 4.5-6) 3.55 6.73 -34.15 3 4 1 54 261.345 3

Activity (Go SEA)

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