UCSF

ZINC27317520

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 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) -3.81 -0.31 -102.76 9 10 1 181 317.37 10
Hi High (pH 8-9.5) -3.81 -1.78 -69.62 8 10 0 176 316.362 10

Activity (Go SEA)

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