UCSF

ZINC27533225

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 21 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) 1.71 9.35 -42.07 1 4 1 44 321.447 5
Hi High (pH 8-9.5) 1.71 6.83 -10.72 0 4 0 42 320.439 5

Activity (Go SEA)

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