UCSF

ZINC44509186

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 16 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) -1.02 -0.97 -45.73 5 7 1 107 226.26 3
Hi High (pH 8-9.5) -0.57 -2.63 -62.97 4 7 0 110 225.252 3

Activity (Go SEA)

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