UCSF

ZINC37078429

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 2.39 3.71 -50.47 3 2 1 31 248.177 4
Mid Mid (pH 6-8) 2.39 6 -124.58 4 2 2 32 249.185 4

Activity (Go SEA)

Rings

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