UCSF

ZINC44513255

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 18 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) -1.33 0.25 -109.53 6 6 2 90 258.366 6
Hi High (pH 8-9.5) -1.33 -1.92 -54 5 6 1 89 257.358 6

Activity (Go SEA)

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