UCSF

ZINC20872604

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 26 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) 3.01 8.9 -46.29 3 5 1 64 357.474 9
Hi High (pH 8-9.5) 3.01 7.49 -12.89 2 5 0 60 356.466 9

Activity (Go SEA)

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