UCSF

ZINC48404673

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 17 No

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) -0.39 0.63 -13 2 6 0 79 237.259 1
Hi High (pH 8-9.5) -0.20 -2.01 -44.77 1 6 -1 85 236.251 1

Activity (Go SEA)

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