UCSF

ZINC17057175

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 25 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) 3.41 5.87 -21.65 1 7 0 83 355.375 4
Hi High (pH 8-9.5) 3.48 4.97 -47.38 0 7 -1 89 354.367 4

Activity (Go SEA)

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