UCSF

ZINC27301051

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 34 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) -0.66 2.48 -407.99 11 8 5 98 487.846 7
Hi High (pH 8-9.5) -0.66 0.19 -268.52 10 8 4 97 486.838 7
Mid Mid (pH 6-8) -0.66 0.08 -166.93 9 8 3 89 485.83 7
Mid Mid (pH 6-8) -0.66 2.46 -294.85 10 8 4 90 486.838 7
Mid Mid (pH 6-8) -0.66 1.36 -263.87 10 8 4 94 486.838 7
Lo Low (pH 4.5-6) -0.66 3.85 -419.45 11 8 5 95 487.846 7

Activity (Go SEA)

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