UCSF

ZINC43968606

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 2.78 6.56 -30.82 2 3 1 29 265.421 9
Hi High (pH 8-9.5) 2.78 5.65 -2.05 1 3 0 24 264.413 9
Mid Mid (pH 6-8) 2.78 6.63 -31.99 2 3 1 26 265.421 9

Activity (Go SEA)

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