UCSF

ZINC43251741

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 15 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) 2.58 3.48 -43.64 3 2 1 31 247.815 5
Hi High (pH 8-9.5) 2.58 5.25 -32.55 3 2 1 30 247.815 5
Hi High (pH 8-9.5) 2.58 3.16 -1.52 2 2 0 29 246.807 5
Lo Low (pH 4.5-6) 2.58 5.55 -110.47 4 2 2 32 248.823 5

Activity (Go SEA)

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