UCSF

ZINC65314362

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 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) -0.19 3.18 -123.56 4 8 2 92 344.485 8
Hi High (pH 8-9.5) -0.19 -0.38 -45.56 2 8 0 93 342.469 8
Hi High (pH 8-9.5) -0.19 0.87 -80.13 2 8 0 96 342.469 8
Mid Mid (pH 6-8) -0.19 2.06 -77.69 3 8 1 94 343.477 8

Activity (Go SEA)

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

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