UCSF

ZINC44808382

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) 0.68 3.86 -42.94 4 4 1 66 277.388 7
Hi High (pH 8-9.5) 0.68 4.27 -9.51 3 4 0 64 276.38 7

Activity (Go SEA)

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