UCSF

ZINC49330096

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 13 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) -0.44 1.97 -47.17 3 4 1 55 184.263 5
Hi High (pH 8-9.5) -0.44 0.72 -8.1 2 4 0 50 183.255 5
Mid Mid (pH 6-8) -0.44 2.45 -92.82 4 4 2 56 185.271 5

Activity (Go SEA)

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