UCSF

ZINC52271717

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 12 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) 3.30 6.49 -38.77 2 1 1 17 247.181 3
Hi High (pH 8-9.5) 3.30 5.2 -1.53 1 1 0 12 246.173 3

Activity (Go SEA)

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