UCSF

ZINC06240296

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 18 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) 0.38 1.09 -13.57 3 8 0 132 249.182 2
Hi High (pH 8-9.5) 0.84 -0.73 -96.07 1 8 -2 138 247.166 2
Hi High (pH 8-9.5) 0.84 -1.03 -93.47 1 8 -2 138 247.166 2
Mid Mid (pH 6-8) 0.38 1.58 -41.53 2 8 -1 135 248.174 2
Mid Mid (pH 6-8) 0.38 2.09 -41.96 2 8 -1 135 248.174 2
Mid Mid (pH 6-8) 0.84 -2.03 -38.15 2 8 -1 135 248.174 2
Mid Mid (pH 6-8) 0.84 -1.74 -43.6 2 8 -1 135 248.174 2

Activity (Go SEA)

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