UCSF

ZINC43460817

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 3.27 8.37 -41.58 1 5 -1 82 351.224 4
Hi High (pH 8-9.5) 3.27 7.68 -109.14 0 5 -2 80 350.216 4

Activity (Go SEA)

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