UCSF

ZINC39559726

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 18 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) -0.81 -1.67 -22.33 3 8 0 113 252.23 1
Hi High (pH 8-9.5) -0.35 -3.73 -57.95 2 8 -1 116 251.222 1

Activity (Go SEA)

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