UCSF

ZINC52213875

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 13 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) -0.23 4.17 -40.71 1 4 -1 69 182.199 3
Lo Low (pH 4.5-6) -0.23 2.34 -8.33 2 4 0 66 183.207 3

Activity (Go SEA)

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