UCSF

ZINC12538245

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 20 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) 1.86 8.47 -12.78 0 3 0 33 284.384 3
Lo Low (pH 4.5-6) 1.86 8.75 -36.8 1 3 1 34 285.392 3

Activity (Go SEA)

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