UCSF

ZINC45302569

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 24 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 11.05 -37.83 2 4 1 46 327.448 9
Hi High (pH 8-9.5) 3.01 9.66 -11.63 1 4 0 42 326.44 9

Activity (Go SEA)

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