UCSF

ZINC37087783

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 1.89 7.66 -32.25 2 3 0 57 259.396 8
Hi High (pH 8-9.5) 1.89 6.14 -44.51 1 3 -1 52 258.388 8

Activity (Go SEA)

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