UCSF

ZINC55271092

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 26 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) 3.47 8.51 -11.37 0 4 0 43 355.409 7
Mid Mid (pH 6-8) 3.47 10.73 -33.67 1 4 1 44 356.417 7

Activity (Go SEA)

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