UCSF

ZINC33823607

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 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) 3.16 5.63 -24.87 3 2 1 40 219.695 0
Hi High (pH 8-9.5) 3.16 5.29 -11.66 2 2 0 39 218.687 0

Activity (Go SEA)

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