UCSF

ZINC33780967

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 35 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) 5.28 13.08 -47.03 0 6 -1 79 470.545 10
Lo Low (pH 4.5-6) 5.28 11.95 -18.01 1 6 0 76 471.553 10

Activity (Go SEA)

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