UCSF

ZINC43967958

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 35 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) 3.54 9.99 -27.34 1 10 0 128 575.669 7
Hi High (pH 8-9.5) 3.54 10.56 -45.72 0 10 -1 131 574.661 7

Activity (Go SEA)

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