UCSF

ZINC20049749

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 12 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) -0.25 0.97 -37.85 3 3 1 50 167.232 5
Hi High (pH 8-9.5) -0.25 -0.51 -7.55 2 3 0 45 166.224 5

Activity (Go SEA)

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