UCSF

ZINC43262581

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 2.46 3.12 -50.3 5 4 1 74 375.356 6
Hi High (pH 8-9.5) 2.46 2.91 -8.54 4 4 0 72 374.348 6
Mid Mid (pH 6-8) 2.46 4.57 -37.35 5 4 1 74 375.356 6
Mid Mid (pH 6-8) 2.46 4.9 -123.7 6 4 2 75 376.364 6

Activity (Go SEA)

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