UCSF

ZINC35604354

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 13 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) -0.45 0.53 -37.72 3 4 1 57 187.263 4
Hi High (pH 8-9.5) -0.45 -0.73 -10.63 2 4 0 53 186.255 4

Activity (Go SEA)

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