UCSF

ZINC71148974

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2011 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) 1.97 6.25 -94.37 3 3 2 24 332.261 5
Hi High (pH 8-9.5) 1.97 3.89 -38.94 2 3 1 23 331.253 5

Activity (Go SEA)

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