UCSF

ZINC49328374

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 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) -0.13 7.17 -169.11 5 4 3 51 225.36 5
Hi High (pH 8-9.5) -0.13 4.44 -49.74 3 4 1 49 223.344 5
Hi High (pH 8-9.5) -0.13 6.3 -44.81 3 4 1 48 223.344 5
Mid Mid (pH 6-8) -0.13 6.66 -114.13 4 4 2 50 224.352 5
Mid Mid (pH 6-8) -0.13 4.96 -82.58 4 4 2 50 224.352 5

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.