UCSF

ZINC44678645

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 16 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) 0.70 5.73 -81.59 3 3 2 24 225.38 2
Hi High (pH 8-9.5) 0.70 3.32 -36.94 2 3 1 23 224.372 2
Mid Mid (pH 6-8) 0.70 5.72 -101.11 3 3 2 21 225.38 2

Activity (Go SEA)

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