UCSF

ZINC44239575

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 16 No

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) -0.10 2.59 -48.99 3 5 1 60 230.332 4
Hi High (pH 8-9.5) -0.10 2.21 -6.66 2 5 0 59 229.324 4
Mid Mid (pH 6-8) -0.10 4.39 -122.56 4 5 2 62 231.34 4
Mid Mid (pH 6-8) -0.10 3.99 -38.49 3 5 1 60 230.332 4

Activity (Go SEA)

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