UCSF

ZINC48747597

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 28 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) 4.45 10.3 -50.16 2 5 1 54 380.464 9
Hi High (pH 8-9.5) 4.45 8.91 -9.83 1 5 0 49 379.456 9

Activity (Go SEA)

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