UCSF

ZINC43534114

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 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) 4.58 8.66 -40.87 2 2 1 20 289.487 6
Hi High (pH 8-9.5) 4.58 9.61 -30.37 2 2 1 16 289.487 6
Lo Low (pH 4.5-6) 4.58 10.78 -105.97 3 2 2 21 290.495 6

Activity (Go SEA)

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