UCSF

ZINC71813506

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2012 18 Yes

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) 3.05 7.53 -41.23 2 3 1 34 251.325 4
Hi High (pH 8-9.5) 2.87 6.71 -28.37 1 3 0 40 250.317 4

Activity (Go SEA)

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