UCSF

ZINC44108562

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 1.70 4.91 -42.96 2 5 1 54 296.387 8
Hi High (pH 8-9.5) 1.70 3.8 -6.85 1 5 0 49 295.379 8

Activity (Go SEA)

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