UCSF

ZINC27273234

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 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) 2.69 9.05 -48.54 2 5 1 54 318.441 8
Hi High (pH 8-9.5) 2.69 6.96 -20.34 1 5 0 53 317.433 8

Activity (Go SEA)

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