UCSF

ZINC37822621

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.91 7 -51.38 3 4 1 72 274.388 7
Mid Mid (pH 6-8) 0.91 6.68 -10.32 2 4 0 70 273.38 7

Activity (Go SEA)

Rings

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