UCSF

ZINC43419841

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) -0.87 3.7 -12.28 1 6 0 97 236.275 6
Hi High (pH 8-9.5) -0.68 4.53 -42.17 0 6 -1 103 235.267 6

Activity (Go SEA)

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