UCSF

ZINC60213888

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) -1.86 -0.78 -55.65 5 10 1 156 325.301 7
Hi High (pH 8-9.5) -0.96 -5.29 -43.87 3 10 -1 158 323.285 7
Mid Mid (pH 6-8) -1.86 -3.11 -14.45 4 10 0 155 324.293 7
Mid Mid (pH 6-8) -0.96 -2.8 -70.43 4 10 0 160 324.293 7

Activity (Go SEA)

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