UCSF

ZINC30970929

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 19 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) 2.44 3.77 -37.25 1 5 1 57 327.202 5
Hi High (pH 8-9.5) 2.44 1.65 -6.38 0 5 0 55 326.194 5

Activity (Go SEA)

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