UCSF

ZINC55027464

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 15 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) 1.71 2.92 -41.86 3 3 1 46 210.297 5
Hi High (pH 8-9.5) 1.71 1.49 -4.44 2 3 0 41 209.289 5

Activity (Go SEA)

Rings

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