UCSF

ZINC42778531

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 3.06 8.97 -36.92 1 3 1 21 276.857 7
Hi High (pH 8-9.5) 3.06 6.52 -5.13 0 3 0 19 275.849 7

Activity (Go SEA)

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