UCSF

ZINC09243303

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 28 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) 3.81 7.07 -13.1 2 6 0 78 442.313 6
Hi High (pH 8-9.5) 3.79 7.31 -56.06 0 6 -1 77 441.305 6
Hi High (pH 8-9.5) 3.79 7.52 -43.72 0 6 -1 77 441.305 6
Hi High (pH 8-9.5) 3.81 7.97 -43.32 1 6 -1 81 441.305 6
Mid Mid (pH 6-8) 3.81 7.84 -52.21 1 6 -1 81 441.305 6

Activity (Go SEA)

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