UCSF

ZINC17145446

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 23 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) 3.71 13.6 -11.96 1 4 0 46 306.344 2
Hi High (pH 8-9.5) 3.71 12.94 -12.89 0 4 0 43 306.344 2
Mid Mid (pH 6-8) 3.71 13.77 -48.04 2 4 1 47 307.352 2
Lo Low (pH 4.5-6) 3.71 13.45 -32.73 1 4 1 44 307.352 2

Activity (Go SEA)

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