UCSF

ZINC25654338

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2009 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) 0.24 2.04 -47.09 1 8 -1 107 315.309 5
Lo Low (pH 4.5-6) -0.22 2.86 -22.51 2 8 0 104 316.317 5

Activity (Go SEA)

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