UCSF

ZINC38611850

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 23 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) -0.28 1.1 -28.35 4 6 0 107 332.743 2
Hi High (pH 8-9.5) 4.21 8.63 -2.06 0 0 0 0 194.343 1

Activity (Go SEA)

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