UCSF

ZINC35288172

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 25 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) 5.36 11.46 -10.2 1 3 0 46 352.865 4
Hi High (pH 8-9.5) 5.81 9.98 -46.19 0 3 -1 49 351.857 4

Activity (Go SEA)

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