UCSF

ZINC43800828

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 15 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) -2.06 -2.81 -55.61 4 6 1 84 219.261 6
Hi High (pH 8-9.5) -2.06 -4.16 -13.39 3 6 0 80 218.253 6

Activity (Go SEA)

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