UCSF

ZINC43700255

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 12 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) -3.02 1.24 -40.54 3 5 0 80 176.216 6
Hi High (pH 8-9.5) -3.02 -0.87 -45.23 2 5 -1 79 175.208 6
Mid Mid (pH 6-8) -3.02 -0.5 -30.28 3 5 0 80 176.216 6
Mid Mid (pH 6-8) -3.02 1.59 -75.67 4 5 1 81 177.224 6

Activity (Go SEA)

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