UCSF

ZINC34837819

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 27 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) 3.80 11.05 -61.45 3 5 1 71 352.421 3
Hi High (pH 8-9.5) 3.80 10.65 -13.94 2 5 0 69 351.413 3

Activity (Go SEA)

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