UCSF

ZINC47550645

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2010 18 No

Download: MOL2 SDF SMILES Flexibase

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) 0.45 2.21 -15.07 2 5 0 61 249.314 7
Mid Mid (pH 6-8) 0.45 4.21 -40.41 3 5 1 63 250.322 7

Activity (Go SEA)

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