UCSF

ZINC22679061

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 24 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) 2.72 8.73 -51.65 2 5 1 52 329.42 8
Hi High (pH 8-9.5) 2.72 6.61 -14.55 1 5 0 51 328.412 8

Activity (Go SEA)

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