UCSF

ZINC60214157

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 23 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) -1.70 0 -20.15 4 10 0 153 321.293 6
Hi High (pH 8-9.5) -0.79 -2.17 -52.53 3 10 -1 156 320.285 6
Mid Mid (pH 6-8) -1.70 1.5 -75.74 5 10 1 157 322.301 6

Activity (Go SEA)

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