UCSF

ZINC62016050

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 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) 2.86 6.41 -39.52 2 2 1 25 242.77 6
Hi High (pH 8-9.5) 2.86 4.31 -3.79 1 2 0 23 241.762 6

Activity (Go SEA)

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