UCSF

ZINC59210620

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 16 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) 2.92 8.85 -22.97 1 3 1 21 222.356 6
Hi High (pH 8-9.5) 2.92 8.51 -4.68 0 3 0 19 221.348 6

Activity (Go SEA)

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