UCSF

ZINC19789963

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 27 Yes

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) 5.56 13.71 -38.55 1 2 1 8 363.569 6
Hi High (pH 8-9.5) 5.56 11.42 -3.19 0 2 0 6 362.561 6

Activity (Go SEA)

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