UCSF

ZINC43252374

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 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) 3.04 4.25 -40.79 3 2 1 31 261.842 5
Hi High (pH 8-9.5) 3.04 6.04 -30.76 3 2 1 30 261.842 5
Hi High (pH 8-9.5) 3.04 3.92 -1.28 2 2 0 29 260.834 5
Lo Low (pH 4.5-6) 3.04 6.37 -107.91 4 2 2 32 262.85 5

Activity (Go SEA)

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