UCSF

ZINC69238604

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 18 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) 2.77 8.66 -39.46 1 3 1 31 248.346 7
Hi High (pH 8-9.5) 2.77 6.61 -9.57 0 3 0 30 247.338 7

Activity (Go SEA)

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