UCSF

ZINC43708483

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 21 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) -0.25 4.16 -65.77 3 6 1 75 290.343 3
Hi High (pH 8-9.5) -0.25 2.81 -21.23 2 6 0 71 289.335 3

Activity (Go SEA)

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