UCSF

ZINC39351822

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 10 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) -1.08 -0.8 -48.37 3 4 1 63 143.166 1
Hi High (pH 8-9.5) -1.08 -2.09 -10.37 2 4 0 58 142.158 1

Activity (Go SEA)

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