UCSF

ZINC20310221

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 33 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) 2.55 8.45 -82.66 2 9 0 121 454.479 9
Hi High (pH 8-9.5) 2.55 9.48 -138.8 1 9 -1 123 453.471 9
Hi High (pH 8-9.5) 2.55 6.95 -130.31 0 9 -2 122 452.463 9

Activity (Go SEA)

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