UCSF

ZINC43259791

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 2.14 4.24 -45.23 3 3 1 40 348.33 5
Hi High (pH 8-9.5) 2.14 3.94 -2.45 2 3 0 38 347.322 5
Lo Low (pH 4.5-6) 2.14 6.76 -120.85 4 3 2 41 349.338 5

Activity (Go SEA)

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