UCSF

ZINC33839195

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 26 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) 5.03 10.09 -42.86 2 4 1 55 352.454 6
Hi High (pH 8-9.5) 5.03 10.85 -33.19 1 4 0 58 351.446 6

Activity (Go SEA)

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