UCSF

ZINC35291015

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 25 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) 2.14 6.44 -25.41 2 7 0 87 359.455 5
Hi High (pH 8-9.5) 2.33 4.74 -60.67 1 7 -1 94 358.447 5

Activity (Go SEA)

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