UCSF

ZINC43252444

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) 0.56 -0.4 -50.59 5 4 1 74 262.786 5
Hi High (pH 8-9.5) 0.56 -0.72 -6.88 4 4 0 72 261.778 5
Lo Low (pH 4.5-6) 0.56 1.86 -115.86 6 4 2 75 263.794 5

Activity (Go SEA)

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