UCSF

ZINC45694332

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 15 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) -0.79 0.87 -41.72 3 5 1 63 214.289 6
Hi High (pH 8-9.5) -0.79 2.13 -106.02 4 5 2 67 215.297 6
Hi High (pH 8-9.5) -0.60 -1.68 -61.82 2 5 0 69 213.281 6
Mid Mid (pH 6-8) -0.79 2.13 -106.03 4 5 2 67 215.297 6
Lo Low (pH 4.5-6) -0.60 -0.41 -85.88 3 5 1 74 214.289 6
Lo Low (pH 4.5-6) -0.60 -0.42 -85.82 3 5 1 74 214.289 6

Activity (Go SEA)

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