UCSF

ZINC43252945

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 1.97 2.05 -48.07 4 3 1 51 289.852 4
Hi High (pH 8-9.5) 1.97 3.55 -36.5 4 3 1 51 289.852 4
Hi High (pH 8-9.5) 1.97 1.85 -4.09 3 3 0 49 288.844 4
Lo Low (pH 4.5-6) 1.97 3.85 -122.17 5 3 2 52 290.86 4

Activity (Go SEA)

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