UCSF

ZINC20255439

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 29 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) 2.75 8.97 -81.91 2 6 0 85 394.471 6
Hi High (pH 8-9.5) 2.75 6.44 -66.21 1 6 -1 84 393.463 6

Activity (Go SEA)

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