UCSF

ZINC43335325

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 15 No

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) 2.11 0.76 -40.59 5 3 1 68 216.345 9
Hi High (pH 8-9.5) 2.11 0.44 -2.91 4 3 0 66 215.337 9

Activity (Go SEA)

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