UCSF

ZINC19837250

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 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) 3.44 4.86 -14.51 2 3 0 49 219.284 2
Hi High (pH 8-9.5) 3.44 5.89 -60.25 1 3 -1 52 218.276 2

Activity (Go SEA)

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