UCSF

ZINC55033424

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 16 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) 2.94 5.42 -42.58 3 2 1 37 242.77 5
Hi High (pH 8-9.5) 2.94 3.97 -2.62 2 2 0 32 241.762 5

Activity (Go SEA)

Rings

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