UCSF

ZINC09164384

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 29 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) -0.33 3.62 -71.53 4 10 -1 161 472.575 5
Lo Low (pH 4.5-6) -0.33 3.69 -81.26 5 10 0 162 473.583 5

Activity (Go SEA)

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