UCSF

ZINC42430235

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 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) -1.23 0.9 -86.45 3 6 0 105 250.32 5
Hi High (pH 8-9.5) -1.23 0.59 -50.7 2 6 -1 104 249.312 5

Activity (Go SEA)

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