UCSF

ZINC20522179

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 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) 2.83 7.62 -57.51 3 2 1 37 386.107 4
Hi High (pH 8-9.5) 2.83 7.34 -4.52 2 2 0 35 385.099 4

Activity (Go SEA)

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