UCSF

ZINC37976743

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 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) 2.60 4.73 -39.49 3 4 1 46 344.273 5
Hi High (pH 8-9.5) 2.60 5.65 -66.89 2 4 0 49 343.265 5
Hi High (pH 8-9.5) 2.60 4.6 -60.88 2 4 0 52 343.265 5
Mid Mid (pH 6-8) 2.60 3.69 -48.5 3 4 1 49 344.273 5

Activity (Go SEA)

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