UCSF

ZINC48606740

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 20 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) 3.39 5.3 -10.19 2 4 0 61 291.734 3
Hi High (pH 8-9.5) 3.39 6.22 -53.59 1 4 -1 64 290.726 3

Activity (Go SEA)

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