UCSF

ZINC66146689

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 15 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) 0.66 0.63 -33.26 4 4 1 66 215.317 4
Hi High (pH 8-9.5) 0.66 -0.65 -6.98 3 4 0 61 214.309 4

Activity (Go SEA)

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