UCSF

ZINC44808211

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 20 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) 1.28 4.01 -44.71 4 4 1 66 277.388 6
Hi High (pH 8-9.5) 1.28 3.49 -6.57 3 4 0 64 276.38 6

Activity (Go SEA)

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