UCSF

ZINC60214303

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 22 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) -2.27 5.17 -50.76 3 10 0 156 308.25 5
Hi High (pH 8-9.5) -1.36 0.67 -97.74 1 10 -2 158 306.234 5
Mid Mid (pH 6-8) -2.27 2.86 -50.27 2 10 -1 155 307.242 5
Mid Mid (pH 6-8) -1.36 2.98 -75.68 2 10 -1 159 307.242 5

Activity (Go SEA)

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