UCSF

ZINC12508072

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 22 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) 3.36 4.54 -12.34 3 5 0 86 314.366 4
Hi High (pH 8-9.5) 3.36 5.55 -52.73 2 5 -1 89 313.358 4
Lo Low (pH 4.5-6) 3.36 4.92 -37.72 4 5 1 87 315.374 4

Activity (Go SEA)

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