UCSF

ZINC50054735

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 19 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) 0.96 7.23 -36.45 1 6 1 70 270.305 9
Mid Mid (pH 6-8) 0.96 4.99 -8.63 0 6 0 69 269.297 9

Activity (Go SEA)

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