UCSF

ZINC58824902

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2011 11 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) 0.06 3.72 -43.77 0 3 -1 57 153.157 1
Lo Low (pH 4.5-6) -0.53 3.71 -10.79 0 3 0 51 154.165 2

Activity (Go SEA)

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