UCSF

ZINC36853636

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 13 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) -1.75 -4.26 -13.47 3 6 0 87 185.183 3
Hi High (pH 8-9.5) -1.75 -4.28 -14.82 3 6 0 87 185.183 3
Mid Mid (pH 6-8) -1.75 -3.02 -52.26 4 6 1 92 186.191 3
Mid Mid (pH 6-8) -1.56 -5.56 -44.4 3 6 0 98 185.183 3
Mid Mid (pH 6-8) -1.75 -3.02 -52.27 4 6 1 92 186.191 3
Lo Low (pH 4.5-6) -1.56 -5.57 -44.41 3 6 0 98 185.183 3

Activity (Go SEA)

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