UCSF

ZINC40636134

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 19 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) -0.71 2.87 -45.82 2 6 1 66 270.353 4
Hi High (pH 8-9.5) -0.71 1.68 -19.26 1 6 0 62 269.345 4

Activity (Go SEA)

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