UCSF

ZINC33729902

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 35 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) 2.88 9.64 -26.96 2 8 0 101 492.601 11
Hi High (pH 8-9.5) 2.70 8.57 -55.22 1 8 -1 107 491.593 11

Activity (Go SEA)

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