UCSF

ZINC37078714

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 Yes

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) 1.24 7.76 -37.75 3 4 1 49 295.447 10
Mid Mid (pH 6-8) 1.24 8.12 -133.32 4 4 2 51 296.455 10
Mid Mid (pH 6-8) 1.24 6.24 -45.74 3 4 1 49 295.447 10

Activity (Go SEA)

Rings

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