UCSF

ZINC27838227

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 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) 2.71 8.01 -49.71 0 4 -1 60 296.774 6
Lo Low (pH 4.5-6) 2.71 6.89 -9.54 1 4 0 58 297.782 6

Activity (Go SEA)

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