UCSF

ZINC43253380

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) 3.72 8.65 -33.22 3 2 1 30 341.953 7
Hi High (pH 8-9.5) 3.72 7.6 -45.91 3 2 1 31 341.953 7
Mid Mid (pH 6-8) 3.72 8.93 -117.39 4 2 2 32 342.961 7

Activity (Go SEA)

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