UCSF

ZINC43252936

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 1.57 1.06 -50.15 4 3 1 51 275.825 4
Hi High (pH 8-9.5) 1.57 0.94 -4.55 3 3 0 49 274.817 4
Mid Mid (pH 6-8) 1.57 2.52 -33.72 4 3 1 51 275.825 4
Lo Low (pH 4.5-6) 1.57 3.22 -126.2 5 3 2 52 276.833 4

Activity (Go SEA)

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