UCSF

ZINC43411490

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 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) 0.07 0.02 -38.34 4 4 1 63 202.322 6
Hi High (pH 8-9.5) 0.06 0.93 -35.58 4 4 1 60 202.322 6
Hi High (pH 8-9.5) 0.06 -1.7 -6.9 3 4 0 58 201.314 6
Mid Mid (pH 6-8) 0.07 2.18 -113.45 5 4 2 64 203.33 6

Activity (Go SEA)

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