UCSF

ZINC42454805

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 20 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) 1.84 5.73 -48.39 4 5 1 83 275.376 5
Mid Mid (pH 6-8) 1.84 3.93 -16.25 3 5 0 82 274.368 5

Activity (Go SEA)

Rings

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