UCSF

ZINC48353668

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 23 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) 1.21 2.92 -43.87 3 6 1 67 320.413 5
Hi High (pH 8-9.5) 1.21 1.68 -12.78 2 6 0 63 319.405 5

Activity (Go SEA)

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