UCSF

ZINC21787249

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 31 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) 4.92 13.82 -18.56 0 5 0 47 417.553 9
Mid Mid (pH 6-8) 4.92 14.32 -33.51 1 5 1 49 418.561 9

Activity (Go SEA)

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