UCSF

ZINC36161334

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 22 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) 1.60 5.01 -48.77 3 5 1 66 319.454 2
Hi High (pH 8-9.5) 1.60 3.66 -9.84 2 5 0 61 318.446 2

Activity (Go SEA)

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