UCSF

ZINC48544395

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 20 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) 0.85 3.61 -44.2 4 5 1 80 278.376 6
Hi High (pH 8-9.5) 0.85 2.4 -16.66 3 5 0 75 277.368 6

Activity (Go SEA)

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