UCSF

ZINC40564211

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 31 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) 0.52 1.54 -20.89 4 10 0 124 444.414 7
Mid Mid (pH 6-8) 0.52 3.69 -53.35 5 10 1 125 445.422 7

Activity (Go SEA)

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