UCSF

ZINC25562112

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 29 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) 4.06 7.82 -13.73 2 6 0 88 427.551 6
Hi High (pH 8-9.5) 4.99 7.37 -52.78 1 6 -1 93 426.543 5

Activity (Go SEA)

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