UCSF

ZINC37180886

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 13 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 6.37 -26.41 2 2 1 26 177.271 3
Mid Mid (pH 6-8) 2.39 5.9 -3.82 1 2 0 25 176.263 3

Activity (Go SEA)

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