UCSF

ZINC37053044

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) -0.37 -0.75 -13.17 3 7 0 122 269.282 5
Hi High (pH 8-9.5) -0.37 -0.58 -50.06 2 7 -1 124 268.274 5

Activity (Go SEA)

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