UCSF

ZINC48381854

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 19 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) 2.26 1.45 -11.97 2 5 0 75 323.201 5
Hi High (pH 8-9.5) 2.26 1.57 -44.9 1 5 -1 77 322.193 5

Activity (Go SEA)

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