UCSF

ZINC43262771

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 2.27 2.18 -38.87 4 3 1 51 336.319 7
Hi High (pH 8-9.5) 2.27 2.96 -34.34 4 3 1 51 336.319 7
Hi High (pH 8-9.5) 2.27 2.08 -3.21 3 3 0 49 335.311 7
Lo Low (pH 4.5-6) 2.27 3.69 -117.76 5 3 2 52 337.327 7

Activity (Go SEA)

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