UCSF

ZINC49091843

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 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) -0.05 4.33 -23.41 1 5 0 66 257.293 3
Lo Low (pH 4.5-6) -0.05 4.79 -46.09 2 5 1 67 258.301 3

Activity (Go SEA)

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