UCSF

ZINC17139040

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 27 No

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) 1.57 8.72 -51.31 1 6 0 78 365.433 6
Hi High (pH 8-9.5) 1.57 6.2 -38.52 0 6 -1 77 364.425 6
Mid Mid (pH 6-8) 1.57 8.28 -44.58 2 6 1 75 366.441 6
Mid Mid (pH 6-8) 0.98 8.59 -47.11 1 6 1 72 366.441 6

Activity (Go SEA)

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