UCSF

ZINC35822652

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 12 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) 0.65 4.44 -17.32 1 3 0 46 191.658 4
Hi High (pH 8-9.5) 0.66 3.67 -44.73 1 3 -1 52 190.65 4

Activity (Go SEA)

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